SCHEMBL4716655

SCHEMBL4716655

Cc1n[nH]c(CN2Cc3cccnc3C2=O)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.44
CYP3A4 P08684 5/20 0.42
ADAM17 P78536 1/20 0.38
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
PIK3R1 P27986 3/20 0.33
PIK3CA P42336 3/20 0.33
DRD1 P21728 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL4718423 0.87 KCNH2 (0.46) KCNH2CYP3A4ADAM17MAPK1CYP2C9
SCHEMBL4719569 0.87 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4715688 0.81 KCNH2 (0.42) KCNH2CYP3A4ADAM17CYP2C9CYP2C19
SCHEMBL4718375 0.77 KCNH2 (0.42) KCNH2CYP3A4ADAM17CYP2C9CYP2C19
SCHEMBL4719519 0.77 KCNH2 (0.42) KCNH2CYP3A4ADAM17CYP2C9CYP2C19
SCHEMBL509724 0.74 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL508346 0.74 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL10250900 0.73 KCNH2 (0.78) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL509996 0.72 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL5226802 0.72 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6

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-1551828-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2008-01-23 EP disclosed
US-6933312-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2005-08-23 US disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 US 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-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 KCNH2 3181/4885CYP3A4 35/4885ADAM17 3890/4885

“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.