SCHEMBL4718375

SCHEMBL4718375

Cc1n[nH]c(CN2Cc3cc(C#N)ccc3C2=O)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.42
LRRK2 Q5S007 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PIK3R1 P27986 3/20 0.36
PIK3CA P42336 3/20 0.36
CYP3A4 P08684 3/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
ADAM17 P78536 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL4719519 0.93 KCNH2 (0.42) KCNH2PIK3R1PIK3CACYP3A4CYP2C9
SCHEMBL4715688 0.91 KCNH2 (0.42) KCNH2DRD2DRD4DRD3PIK3R1
SCHEMBL4718423 0.85 KCNH2 (0.46) KCNH2DRD2DRD3PIK3R1PIK3CA
SCHEMBL4716655 0.77 KCNH2 (0.44) KCNH2PIK3R1PIK3CACYP3A4CYP2C9
SCHEMBL4719569 0.77 KCNH2 (0.44) KCNH2PIK3R1PIK3CACYP3A4CYP2C9
SCHEMBL4766433 0.73 KCNH2 (0.58) KCNH2PIK3R1PIK3CACYP3A4CYP2C9
SCHEMBL4715258 0.71 KCNH2 (0.58) KCNH2LRRK2PIK3R1PIK3CACYP3A4
SCHEMBL14303591 0.70 KCNH2 (0.39) KCNH2PIK3R1PIK3CACYP3A4CYP2C9
SCHEMBL14991856 0.70 PRMT5 (0.44) CYP11B1CYP11B2DRD2DRD4DRD3
SCHEMBL4718377 0.70 NAMPT (0.41) KCNH2CYP3A4

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 5 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
EP-1551828-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2005-07-13 EP disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 US disclosed
WO-2004031178-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2004-04-15 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-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 KCNH2 3181/4885LRRK2 2641/4885CYP11B1 280/4885

“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.