SCHEMBL956573

SCHEMBL956573

Cc1cc2nc(COc3cccc(F)c3F)cc(O)n2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
CXCR2 P25025 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
GRM5 P41594 1/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.35
GRM2 Q14416 1/20 0.35
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL955091 0.81 FFAR1 (0.49) FFAR1POLBLMNARAB9AMAPT
SCHEMBL956589 0.81 FFAR1 (0.37) FFAR1CXCR2RXFP1POLBMAPT
SCHEMBL956154 0.80 FFAR1 (0.40) FFAR1CXCR2POLB
SCHEMBL956581 0.79 CXCR2 (0.57) CXCR2RXFP1POLBMAPT
SCHEMBL3341624 0.77 CXCR2 (0.50) CXCR2RXFP1RAB9A
SCHEMBL958613 0.76 MRGPRX4 (0.50) LMNARAB9A
SCHEMBL954380 0.74 RXFP1 (0.47) CXCR2RXFP1LMNAMAPT
SCHEMBL3338499 0.72 CXCR2 (0.39) CXCR2RXFP1LMNARAB9A
SCHEMBL3339153 0.69 MAOB (0.39) CXCR2POLBLMNARAB9AMAPT
SCHEMBL956425 0.69 KDM4E (0.39)

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 FFAR1 731/4885CXCR2 1/4885RXFP1 89/4885

“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.