SCHEMBL2363852

SCHEMBL2363852

CCCCCNC(=O)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.41
▸ ITGB3 P05106 8/20 0.40
▸ ITGA2B P08514 8/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ ITGB2 P05107 2/20 0.39
▸ ICAM1 P05362 2/20 0.39
▸ ITGAL P20701 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ PLG P00747 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37

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
SCHEMBL2305347 0.81 KMO (0.47) KDM1A
SCHEMBL12242089 0.80 KMO (0.43) KDM1A
SCHEMBL12242080 0.79 SMN1; SMN2 (0.46) KDM1A
SCHEMBL12242079 0.79 KDM1A (0.44) KDM1ACNR2
SCHEMBL12242059 0.78 BCL2L1 (0.42) KDM1A
SCHEMBL12242082 0.78 MAPK1 (0.47) KDM1A
SCHEMBL12242054 0.78 RORC (0.43) KDM1A
SCHEMBL12242068 0.78 KMO (0.41) KCNH2CNR2
SCHEMBL12242062 0.78 KDM1A (0.39) KDM1ACNR2
SCHEMBL12242091 0.78 SMN1; SMN2 (0.43) KDM1A

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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 — — US disclosed
EP-2350051-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-08-03 — — EP disclosed
WO-2010056549-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-05-20 — — 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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 CASP6 322/4885TLR8 1597/4885ITGB3 4361/4885

“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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