SCHEMBL4775279

SCHEMBL4775279

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.41
ALPL P05186 2/20 0.41
XIAP P98170 2/20 0.41
ENPP1 P22413 1/20 0.39
KCNH2 Q12809 3/20 0.36
AR P10275 7/20 0.36
EPAS1 Q99814 5/20 0.32
KDM4E B2RXH2 1/20 0.32
GPR35 Q9HC97 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
SCHEMBL14291053 0.92 ENPP3 (0.42) ENPP3ALPLXIAPENPP1KCNH2
SCHEMBL4716327 0.86 ENPP3 (0.43) ENPP3ALPLXIAPENPP1KCNH2
SCHEMBL4768286 0.85 KCNH2 (0.36) ENPP3ALPLXIAPKCNH2AR
SCHEMBL14290740 0.85 KCNH2 (0.36) ENPP3ALPLXIAPKCNH2AR
SCHEMBL14303592 0.80 KCNH2 (0.44) ENPP3ALPLXIAPENPP1KCNH2
SCHEMBL508348 0.78 ENPP3 (0.45) ENPP3ALPLXIAPENPP1KCNH2
SCHEMBL509286 0.78 EPAS1 (0.40) ENPP3ALPLXIAPENPP1AR
SCHEMBL14540399 0.75 ENPP3 (0.35) ENPP3ALPLXIAPENPP1KCNH2
SCHEMBL4720561 0.73 KCNH2 (0.38) ENPP3ALPLXIAPENPP1KCNH2
SCHEMBL509611 0.68 KCNH2 (0.48) ENPP3ALPLXIAPENPP1KCNH2

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 ENPP3 1100/4885ALPL 2537/4885XIAP 3123/4885

“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.