SCHEMBL1767396

SCHEMBL1767396

Cc1cc(CNC(=O)c2ccnc(-n3cnn(Cc4ccc(F)c(F)c4)c3=O)c2)no1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 13/20 0.45
▸ S1PR3 Q99500 2/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ KDM5A P29375 1/20 0.40
▸ KDM5B Q9UGL1 1/20 0.40
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ ROCK2 O75116 1/20 0.38

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
SCHEMBL1767465 0.92 SCD (0.53) SCDNAMPTROCK2
SCHEMBL1767416 0.86 SCD (0.56) SCD
SCHEMBL1767517 0.83 SCD (0.57) SCDKDM5AKDM5BROCK2
SCHEMBL1767401 0.82 SCD (0.45) SCDS1PR3NAMPTKDM5AKDM5B
SCHEMBL1767573 0.79 KDM5A (0.54) KDM5AKDM5B
SCHEMBL1767431 0.77 SCD (0.67) SCDNAMPT
SCHEMBL1767411 0.76 SCD (0.52) SCDROCK2
SCHEMBL1767551 0.76 SCD (0.53) SCD
SCHEMBL1576985 0.75 SCD (0.49) SCDNAMPT
SCHEMBL1767519 0.75 SCD (0.67) SCDNAMPT

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
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US claimed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US claimed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-20160289191-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2016-10-06 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-9187426-B2 Organic compounds NOVARTIS AG (CH) 2015-11-17 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
US-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US disclosed
WO-2009156484-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 — — 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 (2 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-20110105530-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885S1PR3 625/4885NAMPT 484/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SCD 1/4885S1PR3 625/4885NAMPT 484/4885

“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.

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