SCHEMBL1813404

SCHEMBL1813404

Cc1nn(-c2ccccc2)c(Nc2ccccc2C(=O)O)c1-c1cc(F)c2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.65
ADORA2B P29275 2/20 0.51
ADORA2A P29274 1/20 0.51
ADORA3 P0DMS8 1/20 0.42
FTO Q9C0B1 1/20 0.42
NTRK1 P04629 1/20 0.41

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
SCHEMBL1815646 0.92 ADORA1 (0.56) ADORA1ADORA2BADORA2AADORA3NTRK1
SCHEMBL1815647 0.89 ADORA1 (0.56) ADORA1ADORA2BADORA2AADORA3NTRK1
SCHEMBL3310003 0.88 ADORA1 (0.82) ADORA1ADORA2BADORA2AADORA3FTO
SCHEMBL1813615 0.81 ADORA1 (0.71) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1819029 0.79 ADORA1 (1.00) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1812677 0.78 ADORA1 (0.81) ADORA1ADORA2BADORA2AADORA3FTO
SCHEMBL1819736 0.78 ADORA1 (0.81) ADORA1ADORA2BADORA2AADORA3FTO
SCHEMBL3306061 0.78 ADORA1 (0.84) ADORA1ADORA2BADORA2AADORA3FTO
SCHEMBL3305030 0.78 ADORA1 (0.81) ADORA1ADORA2BADORA2AADORA3FTO
SCHEMBL1818419 0.78 ADORA1 (0.61) ADORA1ADORA2BADORA2AADORA3FTO

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.