SCHEMBL2716684

SCHEMBL2716684

CCc1nn(CCO)c(CC)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
PGR P06401 7/20 0.41
CYP3A4 P08684 2/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.36
MAPT P10636 1/20 0.33
VEGFA P15692 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
Lersivirine SCHEMBL508446 0.92 KCNH2 (0.49) KCNH2PGRCYP3A4PTGDR2
SCHEMBL2718123 0.89 KCNH2 (0.54) KCNH2PGRCYP3A4PTGDR2MAPT
SCHEMBL508393 0.89 KCNH2 (0.44) KCNH2PGR
SCHEMBL509302 0.89 PTGDR2 (0.38) KCNH2PGRPTGDR2MAPT
SCHEMBL2717137 0.88 KCNH2 (0.53) KCNH2PGRCYP3A4PTGDR2
Lersivirine SCHEMBL509058 0.87 KCNH2 (0.45) KCNH2PGRPTGDR2EPAS1
SCHEMBL2717095 0.87 KCNH2 (0.42) KCNH2PGRCYP3A4VEGFAEPAS1
Lersivirine SCHEMBL508803 0.86 KCNH2 (0.44) KCNH2PGRPTGDR2EPAS1
SCHEMBL509331 0.86 KCNH2 (0.41) KCNH2PGR
SCHEMBL508232 0.85 KCNH2 (0.47) KCNH2PGRPTGDR2

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 9 patents. 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 claimed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US claimed
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-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US claimed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885PGR 893/4885CYP3A4 55/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885PGR 1045/4885CYP3A4 47/4885

“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.