SCHEMBL956581

SCHEMBL956581

Cc1cc2nc(CCc3cccc(F)c3F)cc(O)n2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.57
RXFP1 Q9HBX9 1/20 0.39
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CASR P41180 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3C2B O00750 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL954380 0.90 RXFP1 (0.47) CXCR2RXFP1MAPTALDH1A1L3MBTL1
SCHEMBL958516 0.86 CXCR2 (0.54) CXCR2NOS1NOS2NOS3ALDH1A1
SCHEMBL956304 0.86 CXCR2 (0.72) CXCR2PIK3CDPIK3C2BMTORPIK3CG
SCHEMBL956726 0.84 CXCR2 (0.53) CXCR2
SCHEMBL954899 0.83 CXCR2 (0.54) CXCR2MAOB
SCHEMBL957633 0.83 CXCR2 (0.52) CXCR2MAPTALDH1A1KDM4EMEN1
SCHEMBL959542 0.82 CXCR2 (0.52) CXCR2ALDH1A1KDM4EPOLBTP53
SCHEMBL956296 0.82 CXCR2 (0.56) CXCR2
SCHEMBL959381 0.82 CXCR2 (0.51) CXCR2PIK3CG
SCHEMBL3341624 0.81 CXCR2 (0.50) CXCR2RXFP1MAOBTP53

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 CXCR2 1/4885RXFP1 89/4885NOS1 1602/4885

“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.