SCHEMBL9607545

SCHEMBL9607545

CCn1nc(C)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
GLS O94925 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
S1PR1 P21453 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25745804 0.84 CNR1 (0.49) ALDH1A1KDM4EGLAADORA2AADORA2B
SCHEMBL14043795 0.82 ASAH1 (0.42) GAAALDH1A1KDM4EGLAADORA2A
SCHEMBL15069883 0.79 GRN (0.38) ALDH1A1KDM4EADORA2AADORA2BMAPT
SCHEMBL13192102 0.79 CNR1 (0.35) ADORA2AADORA2BCNR1CNR2
SCHEMBL24816263 0.79 CNR1 (0.42) ALDH1A1KDM4EGLAGLSMAPT
SCHEMBL22932725 0.79 GAA (0.46) GAAALDH1A1KDM4EGLAGLS
SCHEMBL12859230 0.79 KCNJ6 (0.40) ALDH1A1KDM4EGLAGLSLMNA
SCHEMBL25745803 0.78 LMNA (0.37) GAAALDH1A1KDM4EGLAGLS
SCHEMBL21721455 0.78 CNR1 (0.34) ADORA2AADORA2BCNR1CNR2
SCHEMBL21720383 0.78 CNR1 (0.34) ADORA2AADORA2BCNR1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-20220119379-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2022-04-21 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11155567-B2 Sting agonist compounds and methods of use MERSANA THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MAYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-9326973-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-03 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 US disclosed
US-20130183269-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 GAA 4866/4885ALDH1A1 2674/4885KDM4E 3386/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS GAA 2581/4885ALDH1A1 3448/4885KDM4E 4215/4885
US-20130183269-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GAA 931/4885ALDH1A1 3966/4885KDM4E 3572/4885
US-20220119379-A1 IMMUNOMODULATOR STING1, TLR9, CGAS GAA 1822/4885ALDH1A1 4567/4885KDM4E 4205/4885
US-11155567-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS GAA 1319/4885ALDH1A1 4848/4885KDM4E 3706/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK GAA 1772/4885ALDH1A1 894/4885KDM4E 595/4885
US-20160199355-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, MAVS, EIF2AK2 GAA 931/4885ALDH1A1 3966/4885KDM4E 3572/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS GAA 2581/4885ALDH1A1 3448/4885KDM4E 4215/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS GAA 2581/4885ALDH1A1 3448/4885KDM4E 4215/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS GAA 2581/4885ALDH1A1 3448/4885KDM4E 4215/4885
US-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GAA 931/4885ALDH1A1 3966/4885KDM4E 3572/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS GAA 2581/4885ALDH1A1 3448/4885KDM4E 4215/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 GAA 931/4885ALDH1A1 3966/4885KDM4E 3572/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH GAA 939/4885ALDH1A1 2986/4885KDM4E 2066/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS GAA 1244/4885ALDH1A1 3872/4885KDM4E 3714/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B GAA 2648/4885ALDH1A1 3735/4885KDM4E 444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.