SCHEMBL1767672

SCHEMBL1767672

NC(=O)c1ccnc(N2CCNC2)c1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.42
▸ HTR6 P50406 4/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ SMO Q99835 1/20 0.39
▸ HTR2C P28335 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ REN P00797 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL1767670 0.83 TAAR1 (0.41) TAAR1HTR6STAT6SMOREN
SCHEMBL28065684 0.74 HTR6 (0.53) TAAR1HTR6HTR2CHTR2AHTR2B
SCHEMBL1568695 0.70 SCD (0.51) PARP1
SCHEMBL3686674 0.69 KDM4E (0.47) TAAR1HTR6STAT6SMOHTR2C
SCHEMBL30945091 0.69 EPHX2 (0.52) HTR2C
SCHEMBL4538970 0.69 EPHX2 (0.52) HTR2C
SCHEMBL45809 0.69 HTT (0.45) CDC7KDM4AKDM5AKDM4CKDM5B
SCHEMBL28681774 0.69 PLA2G2A (0.57) CDC7MAPK8PARP1
Hydrochloric Acid SCHEMBL5901187 0.68 EPHX2 (0.51) HTR2C
SCHEMBL28073182 0.68 HTR2C (0.43) HTR6HTR2CKDM4C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110105530-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2011-05-05 — — US 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 TAAR1 4734/4885HTR6 1794/4885STAT6 1335/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TAAR1 4734/4885HTR6 1794/4885STAT6 1335/4885

“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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