SCHEMBL1819947

SCHEMBL1819947

Cc1cccc(C(=O)O)c1Nc1c(-c2cc(F)c3nccnc3c2)c(C)nn1-c1ccc(F)cc1F

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 18/20 0.69
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 2/20 0.43
ADORA2A P29274 1/20 0.41
LMNA P02545 1/20 0.37
ESR1 P03372 1/20 0.37
DHODH Q02127 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
SCHEMBL1816866 0.95 ADORA1 (0.71) ADORA1ADORA3ADORA2BADORA2ALMNA
SCHEMBL1821127 0.94 ADORA1 (0.69) ADORA1ADORA3ADORA2BADORA2ALMNA
SCHEMBL1814209 0.91 ADORA1 (0.83) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1820415 0.90 ADORA1 (0.73) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1815882 0.89 ADORA1 (0.71) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL3305030 0.89 ADORA1 (0.81) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL1806490 0.88 ADORA1 (0.68) ADORA1ADORA3ADORA2BADORA2ADHODH
SCHEMBL1813617 0.88 ADORA1 (0.71) ADORA1ADORA3ADORA2BADORA2ADHODH
SCHEMBL1815006 0.87 ADORA1 (0.72) ADORA1ADORA3ADORA2BADORA2A
SCHEMBL3305510 0.85 ADORA1 (0.86) ADORA1ADORA3ADORA2BADORA2A

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 168/4885ADORA2B 379/4885

“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.