SCHEMBL3603988

SCHEMBL3603988

Cc1ccc2c(Cc3ccncc3)nnc(N3CCN(c4ccc(C(C)(C)C)cc4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.55
FLT1 P17948 4/20 0.47
KDR P35968 4/20 0.47
PDGFRB P09619 3/20 0.47
KIT P10721 3/20 0.47
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3604149 0.88 SMO (0.64) SMOFLT1KDRPDGFRBKIT
SCHEMBL13444947 0.86 SMO (0.59) SMOGAAMAPK1
SCHEMBL3592314 0.80 SMO (0.76) SMOHPGDMEN1HTTKMT2A
SCHEMBL20431423 0.76 FLT1 (0.39) SMOFLT1KDRPDGFRBKIT
SCHEMBL3604402 0.76 SMO (0.77) SMOFLT1KDRPDGFRBHPGD
SCHEMBL3603137 0.76 SMO (0.58) SMOHPGDMEN1HTTKMT2A
SCHEMBL3603718 0.75 SMO (0.84) SMOFLT1KDRPDGFRBHPGD
SCHEMBL13444945 0.74 SMO (0.73) SMOGAAMAPK1
SCHEMBL20431439 0.73 SMO (0.58) SMOFLT1KDRPDGFRBKIT
SCHEMBL3600835 0.73 SMO (0.84) SMOHPGDMEN1HTTKMT2A

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 5/4885FLT1 2643/4885KDR 3069/4885

“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.