SCHEMBL4768286

SCHEMBL4768286

Cc1nn(C(=O)C(C)(C)C)c(CBr)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
PGR P06401 4/20 0.32
AR P10275 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ENPP3 O14638 1/20 0.31
ALPL P05186 1/20 0.31
XIAP P98170 1/20 0.31
EPAS1 Q99814 2/20 0.31
RORC P51449 1/20 0.30
CYP3A4 P08684 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
SCHEMBL14290740 0.89 KCNH2 (0.36) KCNH2PGRARKDM4EENPP3
SCHEMBL4720561 0.87 KCNH2 (0.38) KCNH2PGRARKDM4EENPP3
SCHEMBL4775279 0.85 ENPP3 (0.41) KCNH2ARKDM4EENPP3ALPL
SCHEMBL14291053 0.78 ENPP3 (0.42) KCNH2ARENPP3ALPLXIAP
SCHEMBL14304003 0.74 KCNH2 (0.49) KCNH2PGRRORC
SCHEMBL4716327 0.73 ENPP3 (0.43) KCNH2ARENPP3ALPLXIAP
SCHEMBL508732 0.71 KCNH2 (0.46) KCNH2AREPAS1CYP3A4
SCHEMBL14303592 0.68 KCNH2 (0.44) KCNH2ARENPP3ALPLXIAP
SCHEMBL509441 0.68 KCNH2 (0.39) KCNH2CYP3A4
SCHEMBL509286 0.67 EPAS1 (0.40) ARENPP3ALPLXIAPEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 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-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 KCNH2 2921/4885PGR 768/4885AR 2819/4885

“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.