SCHEMBL3613461

SCHEMBL3613461

Nc1ccc(N2CCN(c3nnc(Cc4ccccc4)c4ccccc34)CC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 17/20 0.73
MEN1 O00255 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL14084664 0.97 SMO (0.72) SMOMEN1HTTKMT2ANPSR1
SCHEMBL14084451 0.95 SMO (0.70) SMO
SCHEMBL14084484 0.92 SMO (0.63) SMOGAAMAPK1
SCHEMBL14084456 0.91 SMO (0.73) SMO
SCHEMBL14084466 0.91 SMO (0.73) SMO
SCHEMBL14084467 0.91 SMO (0.65) SMO
SCHEMBL14084468 0.90 SMO (0.79) SMO
SCHEMBL14084452 0.89 SMO (0.59) SMOGAAMAPK1
SCHEMBL14084262 0.88 SMO (0.59) SMOGAAMAPK1
SCHEMBL14084453 0.88 SMO (0.74) SMOGAAMAPK1

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 12 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
CN-101657430-B Organic compounds and uses thereof NOVARTIS AG CH 2013-05-01 CN 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
CN-101657430-A Organic compounds and uses thereof NOVARTIS AG CH 2010-02-24 CN disclosed
EP-2137162-A1 ORGANIC COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-12-30 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 5/4885MEN1 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.