SCHEMBL3605096

SCHEMBL3605096

CC(=O)Nc1ccc(C2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 13/20 0.60
IGF1R P08069 13/20 0.60
FGFR1 P11362 13/20 0.60
BRAF P15056 13/20 0.60
FGFR2 P21802 13/20 0.60
FGFR4 P22455 13/20 0.60
FGFR3 P22607 13/20 0.60
JAK1 P23458 13/20 0.60
CDK2 P24941 13/20 0.60
AXL P30530 13/20 0.60
CDK5 Q00535 13/20 0.60
PTK2B Q14289 13/20 0.60
NR3C1 P04150 1/20 0.57
SMO Q99835 3/20 0.54
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 1/20 0.50

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
SCHEMBL20431385 0.90 CDK1 (0.55) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL3611716 0.88 SMO (0.67) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL13444965 0.84 CDK1 (0.58) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL3601157 0.84 MEN1 (0.68) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL3597255 0.81 MEN1 (0.61) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL13444976 0.81 SMO (0.65) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL13445168 0.80 SMO (0.75) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL3609239 0.80 MEN1 (0.60) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL3609791 0.80 SMO (0.63) CDK1IGF1RFGFR1BRAFFGFR2
SCHEMBL3605117 0.78 SGPL1 (0.56) CDK1IGF1RFGFR1BRAFFGFR2

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 9 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
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
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 CDK1 479/4885IGF1R 1791/4885FGFR1 268/4885

“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.