SCHEMBL6289617

SCHEMBL6289617

COc1nn(Cc2ccccc2)c(N)c1-c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP19A1 P11511 1/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
EDNRB P24530 4/20 0.44
EDNRA P25101 3/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCD5 Q86SK9 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PDE5A O76074 1/20 0.43

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
SCHEMBL6289705 0.83 CYP19A1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6289899 0.83 EDNRB (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6289177 0.79 ADORA2A (0.54) ADORA2AADORA1GAAPOLBEDNRB
SCHEMBL7216623 0.78 CYP19A1 (0.42) CYP19A1ADORA1EDNRBEDNRAMAPK1
SCHEMBL6289186 0.77 LMNA (0.50) CYP19A1ADORA1POLBEDNRBEDNRA
SCHEMBL6289188 0.77 LMNA (0.50) CYP19A1ADORA1POLBEDNRBEDNRA
SCHEMBL7224176 0.72 HDAC3 (0.44) CYP19A1ADORA2AADORA1MAPK1NPSR1
SCHEMBL1075673 0.71 CYP1A2 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4015880 0.68 POLB (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6288875 0.68 KMT2A (0.45) ADORA2AADORA1EDNRBEDNRAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 EP 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 CYP1A2 337/4885CYP3A4 865/4885CYP2D6 1210/4885

“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.