SCHEMBL16029645

SCHEMBL16029645

Cn1c(=O)c2[nH]c(Nc3cccc(C(F)(F)F)c3)nc2n(C)c1=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.72
GAA P10253 3/20 0.69
HTT P42858 2/20 0.69
LMNA P02545 1/20 0.69
GFER P55789 1/20 0.69
TAAR1 Q96RJ0 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MAPT P10636 3/20 0.61
KMT2A Q03164 1/20 0.61
ADORA3 P0DMS8 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
RXFP1 Q9HBX9 1/20 0.48
ALOX15 P16050 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL22521844 0.85 ADORA2A (0.77) ADORA2AGAAHTTLMNAGFER
SCHEMBL21175860 0.82 GAA (1.00) ADORA2AGAAHTTLMNAGFER
SCHEMBL24559111 0.82 ALOX15 (0.63) ADORA2AGAAHTTLMNAGFER
SCHEMBL24559321 0.77 GAA (0.79) ADORA2AGAAHTTLMNAGFER
SCHEMBL21186474 0.76 GAA (1.00) ADORA2AGAAHTTLMNAGFER
SCHEMBL16029010 0.76 MAOA (0.54) ADORA2AADORA3ADORA2BADORA1MAOA
SCHEMBL7395584 0.75 MAOA (0.54) MAOAMAOB
SCHEMBL7395581 0.75 MAOA (0.54) MAOAMAOB
SCHEMBL21186476 0.73 GAA (0.75) ADORA2AGAAHTTLMNAGFER
SCHEMBL25090499 0.70 KDM4E (0.55) ADORA2AADORA3ADORA2BADORA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203598-B2 Compounds for repressing cancer cell growth INSTITUTE FOR CANCER RESEARCH (US) 2021-12-21 US disclosed
US-20190225613-A1 Compounds For Repressing Cancer Cell Growth INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2019-07-25 US disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
EP-2970316-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-11-08 EP disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. 2016-05-26 US disclosed
WO-2014152287-A9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2015-04-23 WO disclosed
WO-2014152287-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-25 WO disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 US disclosed
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 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 (4 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-11203598-B2 Compounds for repressing cancer cell growth TP53, HRAS, RB1 ADORA2A 1560/4885GAA 4560/4885HTT 1888/4885
US-20160145257-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADORA2A 486/4885GAA 2882/4885HTT 1025/4885
US-20140275528-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 ADORA2A 486/4885GAA 2882/4885HTT 1025/4885
US-20190225613-A1 Compounds For Repressing Cancer Cell Growth TP53, MYC, HRAS ADORA2A 3621/4885GAA 2749/4885HTT 3135/4885

“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.