SCHEMBL3594725

SCHEMBL3594725

CN(C)CCNC(=O)c1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 16/20 0.70
SGPL1 O95470 1/20 0.53
CDK1 P06493 2/20 0.52
IGF1R P08069 2/20 0.52
FGFR1 P11362 2/20 0.52
BRAF P15056 2/20 0.52
FGFR2 P21802 2/20 0.52
FGFR4 P22455 2/20 0.52
FGFR3 P22607 2/20 0.52
JAK1 P23458 2/20 0.52
CDK2 P24941 2/20 0.52
AXL P30530 2/20 0.52
CDK5 Q00535 2/20 0.52
PTK2B Q14289 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL3602027 0.90 SMO (0.74) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL3615447 0.89 SMO (0.75) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL3599332 0.89 SMO (0.71) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL3603575 0.88 SMO (0.79) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL20420617 0.86 SMO (0.76) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL13445032 0.85 SMO (0.71) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL3609890 0.85 SMO (0.71) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL13445030 0.84 SMO (0.79) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL13445037 0.83 SMO (0.71) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL13444985 0.83 SMO (0.84) SMOSGPL1CDK1IGF1RFGFR1

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 13 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
CN-101657430-B Organic compounds and uses thereof NOVARTIS AG CH 2013-05-01 CN claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US claimed
CN-101657430-A Organic compounds and uses thereof NOVARTIS AG CH 2010-02-24 CN 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
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-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
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US disclosed
WO-2008110611-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2008-09-18 WO 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 5/4885SGPL1 3140/4885CDK1 479/4885

“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.