SCHEMBL1810409

SCHEMBL1810409

COc1cc(C)c(Nc2cc(C)nn2-c2ccccc2OC)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.53
KMT2A Q03164 3/20 0.45
ADORA1 P30542 7/20 0.44
NTRK1 P04629 2/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
P2RY1 P47900 1/20 0.40

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
SCHEMBL1819875 0.91 GFER (0.48) GFERKMT2AADORA1NTRK1GAA
SCHEMBL1836795 0.89 GFER (0.52) GFERKMT2AADORA1NTRK1GAA
SCHEMBL1814495 0.89 GFER (0.52) GFERKMT2AADORA1NTRK1GAA
SCHEMBL1820324 0.81 ADORA1 (0.51) GFERKMT2AADORA1MAPTAKR1C3
SCHEMBL3311400 0.78 GFER (0.56) GFERKMT2AADORA1NTRK1GAA
SCHEMBL1815234 0.76 LMNA (0.50) GFERKMT2AADORA1NTRK1GAA
SCHEMBL3307070 0.76 LMNA (0.46) GFERADORA1NTRK1GAAMAPT
SCHEMBL3306684 0.74 ADORA1 (0.70) ADORA1
SCHEMBL1814361 0.74 ADORA1 (0.46) ADORA1MAPT
SCHEMBL1812450 0.73 ADORA1 (0.58) ADORA1

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 GFER 730/4885KMT2A 3072/4885ADORA1 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.