SCHEMBL3604149

SCHEMBL3604149

CC(C)(C)c1ccc(N2CCN(c3nnc(Cc4ccncc4)c4ccccc34)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.64
PDGFRB P09619 1/20 0.57
KIT P10721 1/20 0.57
FLT1 P17948 1/20 0.57
KDR P35968 1/20 0.57
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CDK1 P06493 3/20 0.47
IGF1R P08069 3/20 0.47
FGFR1 P11362 3/20 0.47
BRAF P15056 3/20 0.47
FGFR2 P21802 3/20 0.47
FGFR4 P22455 3/20 0.47
FGFR3 P22607 3/20 0.47
JAK1 P23458 3/20 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
SCHEMBL3592314 0.92 SMO (0.76) SMOHPGDMEN1HTTKMT2A
SCHEMBL3603988 0.88 SMO (0.55) SMOPDGFRBKITFLT1KDR
SCHEMBL3604402 0.88 SMO (0.77) SMOPDGFRBFLT1KDRHPGD
SCHEMBL3603718 0.87 SMO (0.84) SMOPDGFRBFLT1KDRHPGD
SCHEMBL13444945 0.85 SMO (0.73) SMOGAAMAPK1
SCHEMBL3603137 0.84 SMO (0.58) SMOHPGDMEN1HTTKMT2A
SCHEMBL3600835 0.84 SMO (0.84) SMOHPGDMEN1HTTKMT2A
SCHEMBL3603164 0.84 SMO (0.67) SMOHPGDMEN1HTTKMT2A
SCHEMBL3607225 0.82 SMO (0.76) SMOHPGDMEN1HTTKMT2A
SCHEMBL20431439 0.82 SMO (0.58) SMOPDGFRBKITFLT1KDR

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
US-8536168-B2 Benzyl and pyridinyl derivatives as modulators of the hedgehog signaling pathway NOVARTIS AG (CH) 2013-09-17 US claimed
US-20100069368-A1 Organic Compounds and Their Uses NOVARTIS AG (CH) 2010-03-18 US 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
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 5/4885PDGFRB 1273/4885KIT 639/4885

“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.