SCHEMBL509286

SCHEMBL509286

CC(=O)n1nc(C)c(Oc2cc(F)cc(C#N)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 14/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
ENPP3 O14638 2/20 0.37
ALPL P05186 2/20 0.37
XIAP P98170 2/20 0.37
ENPP1 P22413 1/20 0.37
VEGFA P15692 1/20 0.37

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
SCHEMBL4716327 0.91 ENPP3 (0.43) CYP3A4ARENPP3ALPLXIAP
SCHEMBL14303592 0.88 KCNH2 (0.44) CYP3A4ARENPP3ALPLXIAP
SCHEMBL508348 0.86 ENPP3 (0.45) EPAS1CYP3A4ARENPP3ALPL
SCHEMBL508808 0.85 CYP3A4 (0.38) EPAS1CYP3A4CYP2C9CYP2C19VEGFA
SCHEMBL14540399 0.83 ENPP3 (0.35) CYP3A4ARENPP3ALPLXIAP
SCHEMBL4775279 0.78 ENPP3 (0.41) EPAS1ARENPP3ALPLXIAP
SCHEMBL10251005 0.78 EPAS1 (0.40) EPAS1CYP3A4CYP2C9CYP2C19AR
SCHEMBL4720561 0.76 KCNH2 (0.38) CYP3A4ARENPP3ALPLXIAP
SCHEMBL509734 0.74 ENPP3 (0.52) ARENPP3ALPLXIAPENPP1
SCHEMBL14291053 0.74 ENPP3 (0.42) ARENPP3ALPLXIAPENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 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
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
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 EPAS1 1750/4885CYP3A4 69/4885CYP2C9 511/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 EPAS1 1863/4885CYP3A4 55/4885CYP2C9 366/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD EPAS1 1855/4885CYP3A4 62/4885CYP2C9 380/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 EPAS1 1563/4885CYP3A4 47/4885CYP2C9 248/4885

“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.