SCHEMBL3592302

SCHEMBL3592302

Cc1cc(Cc2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)ccn1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.73
MAPK1 P28482 2/20 0.66
GAA P10253 1/20 0.66
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
FLT1 P17948 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL3600209 0.86 SMO (0.69) SMOMAPK1GAAHTTNPSR1
SCHEMBL3613533 0.85 SMO (0.86) SMOMAPK1GAALMNAMAPT
SCHEMBL3602651 0.85 SMO (1.00) SMOMAPK1GAALMNAMAPT
SCHEMBL3601447 0.83 SMO (0.49) SMOMAPK1GAAHTTNPSR1
SCHEMBL3592650 0.82 SMO (0.53) SMOMAPK1GAAHTTNPSR1
SCHEMBL3605656 0.81 SMO (0.49) SMOMAPK1GAAHTTNPSR1
Dimethylcarbate SCHEMBL27917680 0.78 SMO (0.81) SMOMAPK1GAAHTTNPSR1
SCHEMBL3601646 0.76 SGPL1 (0.51) SMOFLT1KDR
SCHEMBL3597477 0.74 SMO (0.67) SMOMAPK1GAAHTTNPSR1
SCHEMBL20431274 0.74 SMO (0.73) SMOMAPK1GAAHTTNPSR1

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 10 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
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 5/4885MAPK1 1590/4885GAA 1691/4885

“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.