SCHEMBL4586574

SCHEMBL4586574

N#Cc1cc(-n2nc(C(F)(F)F)cc2C(=O)Cl)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.41
F10 P00742 5/20 0.40
F2 P00734 1/20 0.40
AR P10275 1/20 0.39
SCN9A Q15858 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
ORAI1 Q96D31 1/20 0.37

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
SCHEMBL1997130 0.89 KLKB1 (0.53) KLKB1F10F2ARSCN9A
SCHEMBL7478866 0.82 ALOX5 (0.41) KLKB1F10F2ARSCN9A
SCHEMBL2000258 0.82 F10 (0.38) KLKB1F10F2ARSCN9A
SCHEMBL7231373 0.80 KLKB1 (0.51) KLKB1
SCHEMBL7534729 0.79 F10 (0.51) KLKB1F10F2
SCHEMBL3831413 0.79 TRPV1 (0.45) ARPTGS2TRPV1
SCHEMBL3833223 0.79 STIM1 (0.46) ARSCN9APTGS1PTGS2ORAI1
SCHEMBL3830325 0.78 TRPV1 (0.41) ARPTGS2TRPV1
SCHEMBL28386908 0.77 KLKB1 (0.44) KLKB1F10F2ARSCN9A
SCHEMBL23428978 0.76 KLKB1 (0.52) KLKB1F10F2ARPTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603562-A4 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-10-22 EP disclosed
US-7122557-B2 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
EP-1603562-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-21 US disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20040209863-A1 Sulfonyl-amidino-containing and tetrahydropyrimidino-containing compounds as factor Xa inhibitors TFPI, SPINT2, TMPRSS4 KLKB1 236/4885F10 37/4885F2 15/4885

“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.