SCHEMBL1836792

SCHEMBL1836792

CCc1ccccc1-n1nc(C)cc1Nc1ccc(OC)cc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.55
P2RY1 P47900 7/20 0.52
ADORA1 P30542 9/20 0.51
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NTRK1 P04629 1/20 0.42
KMT2A Q03164 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
SCHEMBL5096109 0.90 GFER (0.57) GFERP2RY1ADORA1ALDH1A1HPGD
SCHEMBL3311400 0.89 GFER (0.56) GFERP2RY1ADORA1ALDH1A1HPGD
SCHEMBL1819874 0.88 GFER (0.52) GFERP2RY1ADORA1ALDH1A1HPGD
SCHEMBL1814492 0.88 GFER (0.55) GFERP2RY1ADORA1ALDH1A1HPGD
SCHEMBL5642132 0.85 GFER (0.71) GFERADORA1ALDH1A1HPGDNTRK1
SCHEMBL3307066 0.82 GFER (0.46) GFERADORA1ALDH1A1HPGDNTRK1
SCHEMBL3304966 0.82 ADORA1 (0.58) GFERP2RY1ADORA1
SCHEMBL8354329 0.81 GFER (0.49) GFERADORA1ALDH1A1HPGDNTRK1
SCHEMBL5008452 0.80 GFER (0.56) GFERP2RY1ADORA1NTRK1KMT2A
SCHEMBL5011999 0.80 ADORA1 (0.58) GFERADORA1

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 GFER 730/4885P2RY1 846/4885ADORA1 724/4885

“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.