SCHEMBL14701713

SCHEMBL14701713

CC(=O)c1cn(-c2ccc(F)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
NOTUM Q6P988 1/20 0.41
CYP3A4 P08684 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
KCNJ1 P48048 1/20 0.38
ABCB1 P08183 1/20 0.38
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL2174602 0.85 KDM4E (0.48) KDM4E
SCHEMBL27911750 0.83 KDM4E (0.47) KDM4E
SCHEMBL30582312 0.83 MAP4K4 (0.43) NOTUMKDM4E
SCHEMBL24812338 0.83 KDM4E (0.45) NOTUMKDM4E
SCHEMBL9826453 0.79 NOTUM (0.36) NOTUM
SCHEMBL31419373 0.79 PDE4A (0.45) NOTUMABCB1KDM4EL3MBTL1PDE4A
SCHEMBL2175437 0.79 NOTUM (0.67) NOTUMGABRA2GABRB2
SCHEMBL9825715 0.79 MAPT (0.46) NOTUMKDM4EL3MBTL1GABRA2GABRB2
SCHEMBL23481151 0.78 NOTUM (0.38) NOTUMGABRA2GABRB2
SCHEMBL25442833 0.78 CYP2E1 (0.43) NOTUMCYP3A4KCNJ1KDM4EPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PTGS2 3799/4885NOTUM 4663/4885CYP3A4 4729/4885

“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.