SCHEMBL509171

SCHEMBL509171

Cc1nn(C)c(CNCc2ccc(C#N)cc2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.42
CACNA1G O43497 1/20 0.42
KCNH2 Q12809 2/20 0.41
CYP3A4 P08684 2/20 0.41
SCN8A Q9UQD0 1/20 0.36
MAPT P10636 2/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CACNA1H O95180 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PGR P06401 2/20 0.32
PDE5A O76074 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
EGLN2 Q96KS0 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
SCHEMBL1347443 0.88 CACNA1G (0.39) CACNA1BCACNA1GKCNH2CYP3A4SCN8A
SCHEMBL508732 0.81 KCNH2 (0.46) KCNH2CYP3A4MAPTLMNASMN1; SMN2
SCHEMBL14540719 0.81 KCNH2 (0.46) KCNH2CYP3A4MAPTLMNASMN1; SMN2
SCHEMBL508578 0.79 KCNH2 (0.53) CACNA1BCACNA1GKCNH2CYP3A4SCN8A
SCHEMBL509611 0.77 KCNH2 (0.48) KCNH2CYP3A4MAPT
SCHEMBL5228111 0.75 KCNH2 (0.53) CACNA1BCACNA1GKCNH2CYP3A4MAPT
SCHEMBL5228035 0.74 CACNA1G (0.41) CACNA1BCACNA1GKCNH2CYP3A4SCN8A
SCHEMBL508181 0.74 KCNH2 (0.47) CACNA1BCACNA1GKCNH2CYP3A4SCN8A
SCHEMBL5228148 0.74 KCNH2 (0.53) CACNA1BCACNA1GKCNH2CYP3A4SCN8A
SCHEMBL5225076 0.73 KCNH2 (0.51) CACNA1BCACNA1GKCNH2CYP3A4LMNA

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 20 patents. 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-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-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 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 CACNA1B 4223/4885CACNA1G 3492/4885KCNH2 3441/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CACNA1B 4075/4885CACNA1G 3328/4885KCNH2 3304/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CACNA1B 4196/4885CACNA1G 3541/4885KCNH2 3548/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CACNA1B 3933/4885CACNA1G 2887/4885KCNH2 3503/4885

“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.