SCHEMBL956569

SCHEMBL956569

Oc1cc(CCc2ccccc2Br)nc2cc(-c3ccco3)nn12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 9/20 0.41
ADORA2A P29274 4/20 0.39
ABCG2 Q9UNQ0 5/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2B P29275 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
DPP4 P27487 1/20 0.37
MET P08581 1/20 0.36
FUBP1 Q96AE4 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL954341 0.87 ABCB1 (0.43) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL30515692 0.83 CXCR2 (0.49) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL954898 0.83 CXCR2 (0.49) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL959394 0.80 ABCB1 (0.44) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL956506 0.77 ABCB1 (0.44) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL956084 0.76 CXCR2 (0.37)
SCHEMBL959357 0.74 DPP4 (0.41) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL3341610 0.73 KDM4E (0.41) ABCB1ADORA2AABCG2ADORA1ADORA2B
SCHEMBL956372 0.72 FUBP1 (0.39) ABCB1ABCG2DPP4METFUBP1
SCHEMBL956593 0.72 DPP4 (0.41) ABCB1ABCG2DPP4METFUBP1

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 649/4885ADORA2A 279/4885ABCG2 304/4885

“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.