SCHEMBL3606423

SCHEMBL3606423

CCOC(=O)c1ccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 9/20 0.59
▸ SGPL1 O95470 1/20 0.56
▸ SMO Q99835 3/20 0.53
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ OGA O60502 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HSD17B10 Q99714 1/20 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
SCHEMBL3604497 0.88 SGPL1 (0.67) P2RY12SGPL1SMOKMT2AMEN1
SCHEMBL3604501 0.88 SGPL1 (0.67) P2RY12SGPL1SMOKMT2AMEN1
SCHEMBL1844328 0.85 P2RY12 (0.52) P2RY12SGPL1SMOKMT2AMEN1
SCHEMBL3605780 0.84 SMO (0.78) P2RY12SGPL1SMO
SCHEMBL13445114 0.82 SGPL1 (0.57) P2RY12SGPL1SMOOGA
SCHEMBL6584014 0.81 KMT2A (0.75) P2RY12SGPL1KMT2AMEN1NPC1
SCHEMBL3603229 0.81 SGPL1 (0.68) P2RY12SGPL1SMO
SCHEMBL13445107 0.81 SGPL1 (0.63) P2RY12SGPL1SMOOGA
SCHEMBL3610469 0.81 SGPL1 (0.56) P2RY12SGPL1SMOKMT2AMEN1
SCHEMBL12786109 0.79 KMT2A (0.70) KMT2AMEN1MAPTKDM4EALDH1A1

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
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
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 P2RY12 4837/4885SGPL1 3140/4885SMO 5/4885

“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.

Send feedback