SCHEMBL4635956

SCHEMBL4635956

CCc1n[nH]c(CCOc2cccc(SC)c2)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.61
CYP11B1 P15538 6/20 0.39
CYP11B2 P19099 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
TBXAS1 P24557 1/20 0.32
GAA P10253 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL4635185 0.90 KCNH2 (0.66) KCNH2CYP11B1CYP11B2
SCHEMBL4635181 0.84 KCNH2 (0.58) KCNH2CYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL4635198 0.84 KCNH2 (0.58) KCNH2CYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL4634238 0.80 KCNH2 (0.62) KCNH2CYP11B1CYP11B2
SCHEMBL4635971 0.80 KCNH2 (0.62) KCNH2CYP11B1CYP11B2
SCHEMBL509350 0.79 KCNH2 (0.61) KCNH2CYP11B1CYP11B2
SCHEMBL5226016 0.78 KCNH2 (0.54) KCNH2CYP11B1CYP11B2
SCHEMBL2717764 0.77 KCNH2 (1.00) KCNH2CYP11B1CYP11B2SMN1; SMN2PRMT5
SCHEMBL509289 0.77 KCNH2 (0.65) KCNH2CYP11B1CYP11B2SMN1; SMN2LMNA
SCHEMBL509689 0.77 KCNH2 (0.79) KCNH2CYP11B1CYP11B2

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-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
US-20050054707-A1 Pyrazole derivatives PFIZER INC. 2005-03-10 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-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.