SCHEMBL4635185

SCHEMBL4635185

CCc1n[nH]c(CCOc2ccc(SC)cc2)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.66
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PGR P06401 1/20 0.34
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP3A4 P08684 2/20 0.31

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
SCHEMBL4635956 0.90 KCNH2 (0.61) KCNH2CYP11B1CYP11B2
SCHEMBL4635971 0.85 KCNH2 (0.62) KCNH2CYP11B1CYP11B2PGR
SCHEMBL4634238 0.85 KCNH2 (0.62) KCNH2CYP11B1CYP11B2PGR
SCHEMBL509350 0.84 KCNH2 (0.61) KCNH2CYP11B1CYP11B2PGRCYP2C9
SCHEMBL2717764 0.81 KCNH2 (1.00) KCNH2CYP11B1CYP11B2PGRCYP2C9
SCHEMBL509689 0.80 KCNH2 (0.79) KCNH2CYP11B1CYP11B2PGRCYP2C9
SCHEMBL4635198 0.80 KCNH2 (0.58) KCNH2CYP11B1CYP11B2
SCHEMBL4635181 0.80 KCNH2 (0.58) KCNH2CYP11B1CYP11B2
SCHEMBL509289 0.78 KCNH2 (0.65) KCNH2CYP11B1CYP11B2PGRCYP3A4
SCHEMBL5226016 0.77 KCNH2 (0.54) KCNH2CYP11B1CYP11B2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556359-B1 PYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS FOR HIV MEDIATED DISEASES PFIZER LTD (GB) 2008-06-18 EP disclosed
EP-1556359-B1 PYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS FOR HIV MEDIATED DISEASES PFIZER LTD (GB) 2008-06-18 EP disclosed
US-7220772-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-05-22 US disclosed
US-7220772-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-05-22 US disclosed
EP-1556359-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS FOR HIV MEDIATED DISEASES Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050054707-A1 Pyrazole derivatives PFIZER INC. 2005-03-10 US disclosed
WO-2004031156-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS FOR HIV MEDIATED DISEASES 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-20050054707-A1 Pyrazole derivatives RTF1, PDCD11, RRM2B KCNH2 3264/4885CYP11B1 524/4885CYP11B2 791/4885

“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.