SCHEMBL4720561

SCHEMBL4720561

CC(=O)n1nc(C)c(Oc2cc(C#N)cc(C#N)c2)c1CBr

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.38
PGR P06401 6/20 0.33
ENPP3 O14638 2/20 0.33
ALPL P05186 2/20 0.33
XIAP P98170 2/20 0.33
RORC P51449 1/20 0.32
CYP3A4 P08684 1/20 0.32
IKBKB O14920 1/20 0.31
IKBKE Q14164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
AR P10275 1/20 0.31
ENPP1 P22413 1/20 0.31
SCN7A Q01118 1/20 0.31

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
SCHEMBL4768286 0.87 KCNH2 (0.36) KCNH2PGRENPP3ALPLXIAP
SCHEMBL14304003 0.86 KCNH2 (0.49) KCNH2PGRRORC
SCHEMBL4716327 0.84 ENPP3 (0.43) KCNH2ENPP3ALPLXIAPRORC
SCHEMBL14303592 0.78 KCNH2 (0.44) KCNH2ENPP3ALPLXIAPCYP3A4
SCHEMBL509554 0.77 KCNH2 (0.52) KCNH2PGRRORC
SCHEMBL509286 0.76 EPAS1 (0.40) ENPP3ALPLXIAPCYP3A4AR
SCHEMBL508348 0.76 ENPP3 (0.45) KCNH2ENPP3ALPLXIAPCYP3A4
SCHEMBL14540399 0.76 ENPP3 (0.35) KCNH2ENPP3ALPLXIAPRORC
SCHEMBL14290740 0.76 KCNH2 (0.36) KCNH2PGRENPP3ALPLXIAP
SCHEMBL508737 0.75 KCNH2 (0.42) KCNH2PGRRORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551828-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2008-01-23 EP disclosed
US-6933312-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2005-08-23 US disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 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 (1 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-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 KCNH2 3181/4885PGR 942/4885ENPP3 1365/4885

“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.