SCHEMBL13445008

SCHEMBL13445008

CC(C)(O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.61
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SGPL1 O95470 1/20 0.49
CDK1 P06493 1/20 0.48
IGF1R P08069 1/20 0.48
FGFR1 P11362 1/20 0.48
BRAF P15056 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR4 P22455 1/20 0.48
FGFR3 P22607 1/20 0.48
JAK1 P23458 1/20 0.48
CDK2 P24941 1/20 0.48
AXL P30530 1/20 0.48
CDK5 Q00535 1/20 0.48
PTK2B Q14289 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL13445010 0.84 SMO (0.77) SMOMEN1HTTKMT2ANPSR1
SCHEMBL20431305 0.83 SMO (0.45) SMOSGPL1
SCHEMBL13445007 0.82 SMO (0.68) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL13444991 0.81 SMO (0.55) SMOSGPL1CDK1IGF1RFGFR1
SCHEMBL13491051 0.79 SMO (0.77) SMO
SCHEMBL3601821 0.77 SMO (0.60) SMOMEN1HTTKMT2ANPSR1
SCHEMBL13491052 0.77 SMO (0.63) SMOSGPL1
SCHEMBL3592538 0.76 SMO (1.00) SMOSGPL1
SCHEMBL20431291 0.76 SMO (0.66) SMOMEN1HTTKMT2ANPSR1
SCHEMBL3603261 0.75 SMO (0.64) SMOMEN1HTTKMT2ANPSR1

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 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

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 5/4885MEN1 162/4885HTT 2274/4885

“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.