SCHEMBL956506

SCHEMBL956506

Oc1cc(COc2ccccc2)nc2cc(-c3ccco3)nn12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.44
ALDH1A1 P00352 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
ABCG2 Q9UNQ0 4/20 0.42
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
PTGS2 P35354 1/20 0.39
MET P08581 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FUBP1 Q96AE4 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
SCHEMBL959357 0.85 DPP4 (0.41) ABCB1ALDH1A1ABCG2ADORA2AADORA2B
SCHEMBL956593 0.84 DPP4 (0.41) ABCB1ALDH1A1ABCG2METKDM4E
SCHEMBL956372 0.84 FUBP1 (0.39) ABCB1ALDH1A1ABCG2METKDM4E
SCHEMBL957323 0.83 FFAR1 (0.39) ABCB1ALDH1A1ABCG2ADORA2AMET
SCHEMBL956154 0.81 FFAR1 (0.40) ABCB1ALDH1A1ABCG2ADORA2AMET
SCHEMBL955471 0.81 DPP4 (0.38) ABCB1ALDH1A1ABCG2ADORA2AMET
SCHEMBL959394 0.81 ABCB1 (0.44) ABCB1ALDH1A1ABCG2ADORA2AADORA2B
SCHEMBL954712 0.81 POLB (0.43) ABCB1ALDH1A1ABCG2ADORA2AMET
SCHEMBL956808 0.80 DPP4 (0.42) ABCB1ALDH1A1ABCG2METKDM4E
SCHEMBL959924 0.78 ABCB1 (0.35) ABCB1ABCG2ADORA2AMETFUBP1

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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2257552-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 Novartis AG (CH) 2010-12-08 EP disclosed
WO-2009106539-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2009-09-03 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 ABCB1 649/4885ALDH1A1 1082/4885SIRT1 2239/4885

“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.