SCHEMBL509760

SCHEMBL509760

Cc1n[nH]c(CNCc2cccc(C(N)=O)c2)c1Oc1cc(F)cc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
EPAS1 Q99814 2/20 0.37
HAO1 Q9UJM8 2/20 0.36
KCNH2 Q12809 3/20 0.36
VNN1 O95497 4/20 0.35
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CACNA1G O43497 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
SCHEMBL5228154 0.91 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19EPAS1HAO1
SCHEMBL5226693 0.90 KCNH2 (0.45) CYP3A4CYP2C9KCNH2VNN1AURKA
SCHEMBL5229379 0.84 KCNH2 (0.43) CYP2C9KCNH2VNN1OPRM1OPRD1
SCHEMBL5226676 0.82 VNN1 (0.47) VNN1OPRM1OPRD1OPRK1
SCHEMBL5229495 0.82 KCNH2 (0.47) CYP2C9KCNH2VNN1OPRM1OPRD1
SCHEMBL509089 0.80 KCNH2 (0.47) CYP3A4CYP2C9CYP2C19KCNH2VNN1
SCHEMBL509241 0.78 KCNH2 (0.45) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL5229265 0.77 KCNH2 (0.51) CYP3A4CYP2C9KCNH2VNN1
SCHEMBL509107 0.76 KCNH2 (0.44) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL5225076 0.75 KCNH2 (0.51) CYP3A4CYP2C9CYP2C19EPAS1KCNH2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 CYP3A4 69/4885CYP2C9 511/4885CYP2C19 356/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CYP3A4 55/4885CYP2C9 366/4885CYP2C19 281/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CYP3A4 62/4885CYP2C9 380/4885CYP2C19 235/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP3A4 47/4885CYP2C9 248/4885CYP2C19 186/4885

“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.