SCHEMBL508181

SCHEMBL508181

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.47
CACNA1B Q00975 2/20 0.44
CACNA1G O43497 1/20 0.44
CYP3A4 P08684 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CA P42336 2/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
PDE5A O76074 1/20 0.36
AKR1B1 P15121 1/20 0.33
PLK4 O00444 1/20 0.33
NTRK1 P04629 1/20 0.33
P2RX7 Q99572 2/20 0.33
LRRK2 Q5S007 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL508578 0.96 KCNH2 (0.53) KCNH2CACNA1BCACNA1GCYP3A4SCN8A
SCHEMBL5228111 0.92 KCNH2 (0.53) KCNH2CACNA1BCACNA1GCYP3A4PIK3R1
SCHEMBL5228148 0.91 KCNH2 (0.53) KCNH2CACNA1BCACNA1GCYP3A4SCN8A
SCHEMBL5226919 0.89 KCNH2 (0.51) KCNH2CACNA1BCACNA1GCYP3A4PIK3R1
SCHEMBL5225076 0.89 KCNH2 (0.51) KCNH2CACNA1BCACNA1GCYP3A4LMNA
SCHEMBL5228883 0.89 KCNH2 (0.53) KCNH2CACNA1BCACNA1GCYP3A4LMNA
SCHEMBL5227097 0.88 KCNH2 (0.52) KCNH2CACNA1BCACNA1GCYP3A4LMNA
SCHEMBL5226433 0.87 KCNH2 (0.51) KCNH2CACNA1BCACNA1GCYP3A4PDE5A
SCHEMBL5226456 0.86 KCNH2 (0.48) KCNH2CACNA1BCACNA1GCYP3A4SCN8A
SCHEMBL509432 0.86 BCHE (0.40) SCN8ALMNAHTTSMN1; SMN2

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 3441/4885CACNA1B 4223/4885CACNA1G 3492/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885CACNA1B 4075/4885CACNA1G 3328/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885CACNA1B 4196/4885CACNA1G 3541/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CACNA1B 3933/4885CACNA1G 2887/4885

“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.