SCHEMBL1767670

SCHEMBL1767670

NC(=O)c1ccnc(Cc2ccccc2)c1N1CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ STAT6 P42226 1/20 0.40
▸ HTR6 P50406 3/20 0.39
▸ SMO Q99835 1/20 0.38
▸ REN P00797 2/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ PARP1 P09874 2/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KDM4A O75164 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ ITGA2B P08514 1/20 0.35
▸ RPS6KB1 P23443 1/20 0.35

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
SCHEMBL1767672 0.83 TAAR1 (0.42) TAAR1STAT6HTR6SMOREN
SCHEMBL3686674 0.73 KDM4E (0.47) TAAR1STAT6HTR6SMOPARP1
SCHEMBL22717306 0.72 PLA2G2A (0.45) SMOCDC7MAPK10KDM4AKDM5A
SCHEMBL28295798 0.72 PLA2G2A (0.45) CDC7MAPK10KDM4AKDM5AKDM4C
SCHEMBL2306128 0.69 SYK (0.48) CDC7PARP1RPS6KB1
SCHEMBL45808 0.68 L3MBTL1 (0.41) CDC7PARP1KDM4AKDM5AKDM4C
Hydrochloric Acid SCHEMBL11508163 0.67 SYK (0.46) CDC7PARP1RPS6KB1
SCHEMBL11284541 0.66 HTR1A (0.49) STAT6HTR6PARP1SLC6A4SLC6A3
SCHEMBL3462235 0.66 PLA2G10 (0.50) SMOCDC7
SCHEMBL19197791 0.65 KDM4C (0.49) KDM4AKDM5AKDM4CKDM5B

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 4734/4885STAT6 1335/4885HTR6 1794/4885
US-20160289191-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TAAR1 4734/4885STAT6 1335/4885HTR6 1794/4885

“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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