SCHEMBL1809503

SCHEMBL1809503

Cc1ccc(C)c(-n2nc(C)c(Br)c2Nc2c(C)cccc2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.43
WNT3A P56704 1/20 0.38
POLB P06746 1/20 0.36
ACLY P53396 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2B P29275 1/20 0.35

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 0.89 ADORA1 (0.48) ADORA1POLBADORA3ALDH1A1ADORA2B
SCHEMBL1811983 0.83 ADORA1 (0.44) ADORA1POLBACLYADORA3KDM4E
SCHEMBL1817101 0.83 SMN1; SMN2 (0.47) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1818962 0.83 ADORA1 (0.42) ADORA1POLBKDM4EALDH1A1HPGD
SCHEMBL1810125 0.82 KDM4E (0.42) ADORA1POLBACLYKDM4E
SCHEMBL1814786 0.82 KDM4E (0.42) ADORA1KDM4EALDH1A1
SCHEMBL1815547 0.81 KDM4E (0.42) ADORA1WNT3APOLBACLYKDM4E
SCHEMBL1814347 0.81 TAS2R14 (0.45) ADORA1POLBADORA2B
SCHEMBL1810794 0.79 GFER (0.44) POLBACLYALDH1A1HPGD
SCHEMBL3306670 0.78 ADORA1 (0.46) ADORA1KDM4EALDH1A1HPGDHSD17B10

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 724/4885WNT3A 3757/4885POLB 2263/4885

“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.