SCHEMBL956593

SCHEMBL956593

Oc1cc(COc2c(Cl)cccc2Cl)nc2cc(-c3ccco3)nn12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
ABCB1 P08183 10/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
FYN P06241 1/20 0.38
MET P08581 1/20 0.37
FUBP1 Q96AE4 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL956808 0.93 DPP4 (0.42) DPP4ABCB1ABCG2FYNMET
SCHEMBL959357 0.89 DPP4 (0.41) DPP4ABCB1ABCG2METFUBP1
SCHEMBL956372 0.88 FUBP1 (0.39) DPP4ABCB1ABCG2FYNMET
SCHEMBL957284 0.87 DPP4 (0.41) DPP4ABCB1ABCG2METFUBP1
SCHEMBL957323 0.84 FFAR1 (0.39) DPP4ABCB1ABCG2FYNMET
SCHEMBL956506 0.84 ABCB1 (0.44) ABCB1ABCG2METFUBP1KDM4E
SCHEMBL955471 0.83 DPP4 (0.38) DPP4ABCB1ABCG2FYNMET
SCHEMBL959394 0.81 ABCB1 (0.44) DPP4ABCB1ABCG2METFUBP1
SCHEMBL954341 0.81 ABCB1 (0.43) DPP4ABCB1ABCG2FUBP1KDM4E
SCHEMBL956154 0.81 FFAR1 (0.40) ABCB1ABCG2FYNMETFUBP1

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 DPP4 2626/4885ABCB1 649/4885ABCG2 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.