SCHEMBL509089

SCHEMBL509089

Cc1n[nH]c(CNCc2ccc(C(N)=O)cc2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.47
CYP3A4 P08684 4/20 0.41
VNN1 O95497 1/20 0.38
CYP2C9 P11712 3/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX7 Q99572 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
AR P10275 1/20 0.34
CYP2C19 P33261 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL5229379 0.94 KCNH2 (0.43) KCNH2VNN1CYP2C9PARP15PARP10
SCHEMBL5229495 0.91 KCNH2 (0.47) KCNH2VNN1CYP2C9PARP15PARP10
SCHEMBL5226693 0.91 KCNH2 (0.45) KCNH2CYP3A4VNN1CYP2C9CYP2D6
SCHEMBL5228154 0.90 CYP3A4 (0.40) KCNH2CYP3A4VNN1CYP2C9PARP15
SCHEMBL508578 0.89 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CACNA1G
SCHEMBL5228111 0.89 KCNH2 (0.53) KCNH2CYP3A4VNN1CYP2C9CYP2D6
SCHEMBL509241 0.89 KCNH2 (0.45) KCNH2CYP3A4CYP2C9CYP2D6P2RX7
SCHEMBL5228148 0.88 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6NPC1
SCHEMBL5226676 0.88 VNN1 (0.47) VNN1PARP15PARP10PARP2OPRM1
SCHEMBL509107 0.86 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19

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 22 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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-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-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 KCNH2 3441/4885CYP3A4 69/4885VNN1 2409/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885CYP3A4 55/4885VNN1 2267/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CYP3A4 62/4885VNN1 2864/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885VNN1 2419/4885

“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.