SCHEMBL1813615

SCHEMBL1813615

COC(=O)c1ccccc1Nc1c(-c2cc(F)c3nccnc3c2)c(C)nn1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.71
ADORA2B P29275 2/20 0.58
ADORA2A P29274 1/20 0.58
ADORA3 P0DMS8 1/20 0.48
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3310003 0.92 ADORA1 (0.82) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1814207 0.90 ADORA1 (0.84) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1815646 0.89 ADORA1 (0.56) ADORA1ADORA2BADORA2AADORA3TDP1
SCHEMBL1819946 0.88 ADORA1 (0.69) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1820413 0.88 ADORA1 (0.71) ADORA1ADORA2BADORA2AADORA3
SCHEMBL3305074 0.88 ADORA1 (0.69) ADORA1ADORA2BADORA2AADORA3
SCHEMBL3311807 0.88 ADORA1 (0.69) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1815005 0.88 ADORA1 (0.70) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1815880 0.88 ADORA1 (0.73) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1816863 0.88 ADORA1 (0.73) ADORA1ADORA2BADORA2AADORA3

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 6 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
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US 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
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 724/4885ADORA2B 379/4885ADORA2A 596/4885

“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.