SCHEMBL3601282

SCHEMBL3601282

Cc1c(Cc2ccc(F)cc2)nnc(N2CCN(c3ccncc3C#N)CC2)c1C

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.55

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
SCHEMBL3644307 0.86 SMO (0.56) SMO
SCHEMBL3614339 0.84 SMO (0.40) SMO
SCHEMBL3604679 0.83 SMO (0.43) SMO
SCHEMBL13445219 0.78 SMO (0.75) SMO
SCHEMBL3603570 0.73 SMO (0.40) SMO
SCHEMBL15294029 0.73 SMO (0.62) SMO
SCHEMBL3608120 0.73 PARP1 (0.40) SMO
SCHEMBL3601438 0.73 SMO (0.43) SMO
SCHEMBL4442185 0.72 SMO (0.43) SMO
SCHEMBL13491328 0.72 SMO (0.60) SMO

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-2137162-B1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2018-08-01 EP claimed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US claimed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 EP claimed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 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 (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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SMO 5/4885

“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.