SCHEMBL1836795

SCHEMBL1836795

CCc1ccccc1-n1nc(C)cc1Nc1c(C)cc(OC)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
ADORA1 P30542 8/20 0.46
P2RY1 P47900 3/20 0.44
KMT2A Q03164 1/20 0.44
NTRK1 P04629 2/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL1810409 0.89 GFER (0.53) GFERADORA1P2RY1KMT2ANTRK1
SCHEMBL1819875 0.89 GFER (0.48) GFERADORA1P2RY1KMT2ANTRK1
SCHEMBL1814495 0.88 GFER (0.52) GFERADORA1KMT2ANTRK1GAA
SCHEMBL1811451 0.82 ADORA1 (0.52) GFERADORA1P2RY1POLBAPEX1
SCHEMBL3307070 0.81 LMNA (0.46) GFERADORA1NTRK1GAAMAPT
SCHEMBL1836792 0.79 GFER (0.55) GFERADORA1P2RY1KMT2ANTRK1
SCHEMBL1815234 0.75 LMNA (0.50) GFERADORA1KMT2ANTRK1GAA
SCHEMBL1817384 0.75 ADORA1 (0.80) ADORA1
SCHEMBL5011999 0.73 ADORA1 (0.58) GFERADORA1POLBAPEX1RECQL
SCHEMBL1812450 0.72 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 730/4885ADORA1 724/4885P2RY1 846/4885

“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.