SCHEMBL464563

SCHEMBL464563

CCn1ccnc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TLR8 Q9NR97 2/20 0.36
MAPT P10636 2/20 0.36
NISCH Q9Y2I1 1/20 0.33
FDPS P14324 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL18905838 0.83 KMT2A (0.44) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL28173216 0.83 KMT2A (0.38) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL29295561 0.78 KCNH2 (0.40) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL22940783 0.78 KCNH2 (0.40) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL13861389 0.76 KCNH2 (0.40) KCNH2KMT2AALDH1A1POLBMAPT
Bromide SCHEMBL6182786 0.76 KCNH2 (0.40) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL8568225 0.76 KCNH2 (0.37) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL13233401 0.76 KCNH2 (0.37) KCNH2KMT2AALDH1A1POLBTLR8
SCHEMBL26192330 0.75 KCNH2 (0.42) KCNH2
SCHEMBL7426195 0.75 SMN1; SMN2 (0.41) KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-01-25 US disclosed
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 US disclosed
US-11155567-B2 Sting agonist compounds and methods of use MERSANA THERAPEUTICS, INC. (US) 2021-10-26 US disclosed
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2021-02-04 US disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 US disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 US disclosed
US-9920018-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2018-03-20 US disclosed
US-9873705-B2 Vinylogous thioester compounds and methods of use THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2018-01-23 US disclosed
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling METHYLGENE, INC. 2010-09-30 US disclosed
US-7790729-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2010-09-07 US disclosed
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling 92229129 QUEBEC INC. (CA) 2010-08-26 US disclosed
US-7772247-B2 Substituted thieno[3,2-d]pyridines as inhibitors of the VEGF receptor and HGF receptor METHYLGENE INC. (CA) 2010-08-10 US disclosed
US-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (14 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-20240025924-A1 HETEROCYCLE SUBSTITUTED KETONE DERIVATIVE, AND COMPOSITION AND MEDICINAL USE THEREOF BCKDK, CYP11B2, HSD17B7 KCNH2 244/4885KMT2A 2249/4885ALDH1A1 348/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KCNH2 1822/4885KMT2A 3874/4885ALDH1A1 1682/4885
US-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH KCNH2 3185/4885KMT2A 4715/4885ALDH1A1 3253/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KCNH2 4750/4885KMT2A 3391/4885ALDH1A1 1649/4885
US-20100249145-A1 Inhibitors of VEGF Receptor and HGF Receptor Signaling HGF, MET, FLT1 KCNH2 4750/4885KMT2A 3391/4885ALDH1A1 1649/4885
US-20100216766-A1 Inhibitors of VEGF Receptor and HGF Receptor Signalling HGF, MET, FLT1 KCNH2 4741/4885KMT2A 3438/4885ALDH1A1 1821/4885
US-11155567-B2 Sting agonist compounds and methods of use STING1, IRF3, MAVS KCNH2 4100/4885KMT2A 3969/4885ALDH1A1 4848/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 KCNH2 3729/4885KMT2A 811/4885ALDH1A1 3553/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET KCNH2 4573/4885KMT2A 2353/4885ALDH1A1 3139/4885
US-20210032269-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS KCNH2 4100/4885KMT2A 3969/4885ALDH1A1 4848/4885
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 KCNH2 1822/4885KMT2A 3874/4885ALDH1A1 1682/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET KCNH2 4573/4885KMT2A 2353/4885ALDH1A1 3139/4885
US-20100081708-A1 ANTICOAGULANT COMPOUNDS SERPINC1, F2, FUT5 KCNH2 2186/4885KMT2A 4169/4885ALDH1A1 1769/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 KCNH2 2761/4885KMT2A 2636/4885ALDH1A1 422/4885

“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.