SCHEMBL509734

SCHEMBL509734

CC(=O)n1nc(C)c(Oc2cc(Cl)cc(Cl)c2)c1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.52
ALPL P05186 7/20 0.52
XIAP P98170 7/20 0.52
ENPP1 P22413 3/20 0.52
MAPT P10636 2/20 0.42
MAP3K14 Q99558 3/20 0.40
ELANE P08246 2/20 0.36
AR P10275 1/20 0.34
IKBKB O14920 2/20 0.34
IKBKE Q14164 1/20 0.34
TP53 P04637 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL508348 0.87 ENPP3 (0.45) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL10254343 0.87 ENPP3 (0.45) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL508806 0.82 MAPT (0.41) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL14540763 0.82 MAPT (0.39) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL10250575 0.76 MAPT (0.46) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL14303592 0.76 KCNH2 (0.44) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL509286 0.74 EPAS1 (0.40) ENPP3ALPLXIAPENPP1AR
SCHEMBL508819 0.72 KCNH2 (0.47) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL14540679 0.72 KCNH2 (0.47) ENPP3ALPLXIAPENPP1MAPT
SCHEMBL508698 0.72 MAPT (0.41) ENPP3ALPLXIAPENPP1MAPT

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 27 patents — showing the first 20. 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-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
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US 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
EP-1556381-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
WO-2004029051-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LIMITED (GB) 2004-04-08 WO 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 (5 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 ENPP3 750/4885ALPL 3566/4885XIAP 3386/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ENPP3 1020/4885ALPL 2968/4885XIAP 3542/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 ENPP3 1100/4885ALPL 2537/4885XIAP 3123/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD ENPP3 632/4885ALPL 2083/4885XIAP 2856/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ENPP3 968/4885ALPL 2483/4885XIAP 3624/4885

“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.