SCHEMBL509165

SCHEMBL509165

Cc1n[nH]c(C)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.58
CYP3A4 P08684 4/20 0.47
ENPP3 O14638 1/20 0.46
ALPL P05186 1/20 0.46
ENPP1 P22413 1/20 0.46
XIAP P98170 1/20 0.46
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.36
EPAS1 Q99814 2/20 0.35
VEGFA P15692 1/20 0.35
ARNT P27540 1/20 0.35
SHMT1 P34896 1/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL4718347 0.90 KCNH2 (0.54) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL14303593 0.86 KCNH2 (0.59) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL509030 0.85 ENPP3 (0.55) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL10250900 0.84 KCNH2 (0.78) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL509378 0.83 KCNH2 (0.62) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL4775367 0.83 KCNH2 (0.62) KCNH2CYP3A4ENPP3ALPLENPP1
SCHEMBL14302751 0.82 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4765854 0.80 KCNH2 (0.57) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4104852 0.78 ENPP3 (0.55) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL508346 0.77 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19CYP2D6

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 24 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
EP-1551828-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2008-01-23 EP 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-6933312-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2005-08-23 US disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 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 KCNH2 3441/4885CYP3A4 69/4885ENPP3 750/4885
US-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 KCNH2 3181/4885CYP3A4 35/4885ENPP3 1365/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CYP3A4 62/4885ENPP3 632/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885ENPP3 968/4885

“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.