SCHEMBL954341

SCHEMBL954341

Oc1cc(CCc2ccccc2Cl)nc2cc(-c3ccco3)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.43
DPP4 P27487 1/20 0.43
ADORA2A P29274 4/20 0.41
ADORA2B P29275 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
THRB P10828 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
PTPN7 P35236 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL956569 0.87 ABCB1 (0.41) ABCB1DPP4ADORA2AADORA2BADORA1
SCHEMBL30515692 0.83 CXCR2 (0.49) ABCB1DPP4ADORA2AADORA2BADORA1
SCHEMBL954898 0.83 CXCR2 (0.49) ABCB1DPP4ADORA2AADORA2BADORA1
SCHEMBL959394 0.83 ABCB1 (0.44) ABCB1DPP4ADORA2AADORA2BADORA1
SCHEMBL959357 0.82 DPP4 (0.41) ABCB1DPP4ADORA2AADORA2BADORA1
SCHEMBL956593 0.81 DPP4 (0.41) ABCB1DPP4ABCG2KDM4EMEN1
SCHEMBL956808 0.77 DPP4 (0.42) ABCB1DPP4ABCG2KDM4EMEN1
SCHEMBL956506 0.77 ABCB1 (0.44) ABCB1ADORA2AADORA2BADORA1ABCG2
SCHEMBL956342 0.76 FYN (0.38) ALDH1A1LMNAPOLBMAPTL3MBTL1
SCHEMBL30515690 0.76 FYN (0.38) ALDH1A1LMNAPOLBMAPTL3MBTL1

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 649/4885DPP4 2626/4885ADORA2A 279/4885

“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.