SCHEMBL956589

SCHEMBL956589

Cc1cc2nc(COc3c(F)c(F)cc(F)c3F)cc(O)n2n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.37
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.32
THRB P10828 2/20 0.32
ATM Q13315 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL956573 0.81 FFAR1 (0.50) FFAR1RXFP1POLBMAPTTHRB
SCHEMBL955091 0.73 FFAR1 (0.49) FFAR1POLBKDM4EMAPTALDH1A1
SCHEMBL958613 0.72 MRGPRX4 (0.50)
SCHEMBL956425 0.72 KDM4E (0.39) KDM4EUSP2TSHRALDH1A1
SCHEMBL956581 0.71 CXCR2 (0.57) RXFP1POLBKDM4EMAPTALDH1A1
SCHEMBL954380 0.70 RXFP1 (0.47) RXFP1KDM4EMAPTALDH1A1CXCR2
SCHEMBL955281 0.70 TSHR (0.44) FFAR1POLBKDM4EMAPTTSHR
SCHEMBL3341624 0.69 CXCR2 (0.50) RXFP1CXCR2
SCHEMBL3338701 0.68 CXCR2 (0.40) POLBKDM4EMAPTALDH1A1CXCR2
SCHEMBL3338499 0.68 CXCR2 (0.39) RXFP1KDM4EALDH1A1CXCR2

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 731/4885RXFP1 89/4885POLB 3923/4885

“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.