SCHEMBL13445010

SCHEMBL13445010

CC(C)(O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.77
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.55
CDK1 P06493 2/20 0.55
IGF1R P08069 2/20 0.55
FGFR1 P11362 2/20 0.55
BRAF P15056 2/20 0.55
FGFR2 P21802 2/20 0.55
FGFR4 P22455 2/20 0.55
FGFR3 P22607 2/20 0.55
JAK1 P23458 2/20 0.55
CDK2 P24941 2/20 0.55
AXL P30530 2/20 0.55
CDK5 Q00535 2/20 0.55
PTK2B Q14289 2/20 0.55
SGPL1 O95470 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
SCHEMBL3592538 0.87 SMO (1.00) SMOSGPL1
SCHEMBL20431291 0.85 SMO (0.66) SMOMEN1HTTKMT2ANPSR1
SCHEMBL13445008 0.84 SMO (0.61) SMOMEN1HTTKMT2ANPSR1
SCHEMBL3603261 0.84 SMO (0.64) SMOMEN1HTTKMT2ANPSR1
SCHEMBL3605107 0.82 SMO (0.66) SMOMEN1HTTKMT2ANPSR1
SCHEMBL14084681 0.82 SMO (0.66) SMOMEN1HTTKMT2ANPSR1
SCHEMBL3601061 0.82 SMO (0.76) SMOMEN1HTTKMT2ANPSR1
SCHEMBL3610553 0.82 SMO (0.62) SMOMEN1HTTKMT2ANPSR1
SCHEMBL3601220 0.81 MEN1 (0.65) SMOMEN1HTTKMT2ANPSR1
SCHEMBL13445009 0.81 SMO (0.74) 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 6 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
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 5/4885MEN1 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.