SCHEMBL956084

SCHEMBL956084

Oc1cc(CCc2ccccc2Br)nc2cc(Cc3ccccc3)nn12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.37
FYN P06241 7/20 0.36
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRK5 P34947 1/20 0.33
KCNMA1 Q12791 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.31

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
SCHEMBL956342 0.86 FYN (0.38) CXCR2FYNBCL2BCL2L1GRK5
SCHEMBL956296 0.83 CXCR2 (0.56) CXCR2FYNBCL2BCL2L1GAA
SCHEMBL956569 0.76 ABCB1 (0.41)
SCHEMBL957373 0.71 CXCR2 (0.55) CXCR2GAAMAPK1HTTSMN1; SMN2
SCHEMBL3338299 0.70 CXCR2 (0.52) CXCR2FYN
SCHEMBL3338709 0.64 KDM1A (0.38) CXCR2MAPK1SMN1; SMN2KDM1A
SCHEMBL18770467 0.63 BCL2 (0.41) FYNBCL2BCL2L1HPGDSMN1; SMN2
SCHEMBL5286289 0.63 TAAR1 (0.58) HPGDSMN1; SMN2TAAR1
SCHEMBL30364680 0.63 TAAR1 (0.58) HPGDSMN1; SMN2TAAR1
SCHEMBL7892524 0.63 MAPT (0.49) FYNGAAHPGDHTTSMN1; SMN2

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 1/4885FYN 337/4885BCL2 894/4885

“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.