SCHEMBL1819945

SCHEMBL1819945

Cc1nn(-c2ccc(F)cc2F)c(NC2(C)C=CC=CC2C(=O)O)c1-c1cc(F)c2nccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.48
OPRM1 P35372 1/20 0.36
ADORA3 P0DMS8 1/20 0.32
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3303524 0.95 ADORA1 (0.51) ADORA1OPRM1ADORA3
SCHEMBL3311804 0.94 ADORA1 (0.48) ADORA1ADORA3
SCHEMBL1820411 0.89 ADORA1 (0.51) ADORA1ADORA3
SCHEMBL1815879 0.89 ADORA1 (0.51) ADORA1OPRM1ADORA3
SCHEMBL1815004 0.87 ADORA1 (0.51) ADORA1ADORA3
SCHEMBL3305073 0.86 ADORA1 (0.49) ADORA1ADORA3
SCHEMBL1814784 0.80 OPRM1 (0.38) OPRM1P2RX7
SCHEMBL1817959 0.76 ADORA1 (0.44) ADORA1ADORA3
SCHEMBL3305030 0.75 ADORA1 (0.81) ADORA1ADORA3
SCHEMBL1816105 0.74 KDM4E (0.44) OPRM1

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 724/4885OPRM1 3853/4885ADORA3 168/4885

“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.