SCHEMBL3604679

SCHEMBL3604679

Cc1cc(N2CCN(c3ccncc3C#N)CC2)nnc1Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.43
PARP1 P09874 1/20 0.39
RET P07949 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
AR P10275 1/20 0.34
GRM1 Q13255 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34

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
SCHEMBL3601438 0.90 SMO (0.43) SMOPARP1RETCA12CA1
SCHEMBL4442185 0.90 SMO (0.43) SMOPARP1
SCHEMBL3601282 0.83 SMO (0.55) SMO
SCHEMBL3614339 0.81 SMO (0.40) SMOPARP1CA12CA1CA2
SCHEMBL3644307 0.81 SMO (0.56) SMOPARP1
SCHEMBL13445172 0.80 SMO (0.67) SMO
SCHEMBL3607491 0.79 KDM4E (0.54) SMOAR
SCHEMBL14084476 0.72 SMO (0.50) SMO
SCHEMBL3608662 0.72 SMO (0.68) SMO
SCHEMBL20431614 0.71 SMO (0.59) 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 3 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 disclosed
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 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-20100069368-A1 Organic Compounds and Their Uses SHH, GLI1, VHL SMO 5/4885PARP1 2721/4885RET 54/4885

“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.