SCHEMBL1817175

SCHEMBL1817175

CCc1cc(C)c(Nc2c(Br)c(C)nn2-c2ccccc2C)c(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.45
ADORA3 P0DMS8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADORA2B P29275 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1817001 0.85 ADORA1 (0.48) ADORA1ADORA3ALDH1A1ADORA2B
SCHEMBL1812450 0.85 ADORA1 (0.58) ADORA1ADORA3ALDH1A1ADORA2BKDM4E
SCHEMBL1811451 0.82 ADORA1 (0.52) ADORA1ADORA3ADORA2BKDM4E
SCHEMBL3307070 0.80 LMNA (0.46) ADORA1ALDH1A1MAPTKDM4EHPGD
SCHEMBL1817174 0.80 ADORA1 (0.50) ADORA1ADORA3ALDH1A1ADORA2BKDM4E
SCHEMBL1819329 0.80 ADORA1 (0.72) ADORA1ADORA3ADORA2B
SCHEMBL1814361 0.78 ADORA1 (0.46) ADORA1ADORA3ADORA2BMAPTKDM4E
SCHEMBL1820324 0.77 ADORA1 (0.51) ADORA1ADORA3ALDH1A1ADORA2BMAPT
SCHEMBL1809503 0.77 ADORA1 (0.43) ADORA1ADORA3ALDH1A1ADORA2BKDM4E
SCHEMBL1810364 0.77 ADORA1 (0.52) ADORA1ADORA3ADORA2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO 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 (1 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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ADORA1 724/4885ADORA3 168/4885ALDH1A1 260/4885

“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.