SCHEMBL3607981

SCHEMBL3607981

CN(C)C(=O)Nc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.67
CDK1 P06493 3/20 0.58
IGF1R P08069 3/20 0.58
FGFR1 P11362 3/20 0.58
BRAF P15056 3/20 0.58
FGFR2 P21802 3/20 0.58
FGFR4 P22455 3/20 0.58
FGFR3 P22607 3/20 0.58
JAK1 P23458 3/20 0.58
CDK2 P24941 3/20 0.58
AXL P30530 3/20 0.58
CDK5 Q00535 3/20 0.58
PTK2B Q14289 3/20 0.58

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
SCHEMBL13445168 0.90 SMO (0.75) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3607717 0.89 SMO (0.67) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL20431425 0.85 SMO (0.70) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL20431295 0.85 SMO (0.64) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL13445030 0.84 SMO (0.79) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3603073 0.81 SMO (0.69) SMOCDK1IGF1RFGFR1BRAF
Dimethylcarbate SCHEMBL27917680 0.81 SMO (0.81) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL13444985 0.81 SMO (0.84) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL3592007 0.81 SMO (1.00) SMOCDK1IGF1RFGFR1BRAF
SCHEMBL20431354 0.80 SMO (0.79) SMOCDK1IGF1RFGFR1BRAF

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 7 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-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
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 5/4885CDK1 479/4885IGF1R 1791/4885

“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.