SCHEMBL3601438

SCHEMBL3601438

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.43
PARP1 P09874 1/20 0.39
FLT1 P17948 2/20 0.36
SGPL1 O95470 2/20 0.35
RET P07949 2/20 0.35
KDR P35968 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GRM1 Q13255 1/20 0.34
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL3604679 0.90 SMO (0.43) SMOPARP1RETCA12CA1
SCHEMBL4442185 0.90 SMO (0.43) SMOPARP1SGPL1
SCHEMBL3603570 0.81 SMO (0.40) SMOPARP1CA12CA1CA2
SCHEMBL13445188 0.80 SMO (0.67) SMOSGPL1
SCHEMBL3601282 0.73 SMO (0.55) SMO
SCHEMBL3644307 0.71 SMO (0.56) SMOPARP1FLT1
SCHEMBL3614339 0.71 SMO (0.40) SMOPARP1CA12CA1CA2
SCHEMBL3608120 0.70 PARP1 (0.40) SMOPARP1SGPL1CA12CA1
SCHEMBL13445172 0.69 SMO (0.67) SMOSGPL1
SCHEMBL20431410 0.69 SMO (0.58) SMOSGPL1

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 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

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 2721/4885FLT1 2643/4885

“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.