SCHEMBL6604002

SCHEMBL6604002

N=C(N)c1cccc(-n2nc(C(F)(F)F)cc2C(=O)N2CCc3cc(-c4ccccc4CN4CCCC4)ccc32)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.70
F2 P00734 10/20 0.70
KLKB1 P03952 1/20 0.49
F5 P12259 1/20 0.48
CTRB1 P17538 1/20 0.48
PRSS1 P07477 6/20 0.48
PRSS2 P07478 6/20 0.48
PRSS3 P35030 6/20 0.48

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
SCHEMBL6604182 0.89 F10 (0.70) F10F2KLKB1F5CTRB1
SCHEMBL6604007 0.87 F10 (0.69) F10F2F5CTRB1
SCHEMBL6602814 0.85 F10 (0.69) F10F2KLKB1PRSS1PRSS2
SCHEMBL6605380 0.84 F10 (0.69) F10F2KLKB1PRSS1PRSS2
SCHEMBL6604148 0.82 F10 (1.00) F10F2F5CTRB1
SCHEMBL6604191 0.76 F10 (0.69) F10F2F5CTRB1
SCHEMBL6604647 0.74 F10 (0.70) F10F2KLKB1PRSS1PRSS2
SCHEMBL6604287 0.73 F10 (0.77) F10F2KLKB1F5CTRB1
SCHEMBL6605343 0.72 F10 (0.70) F10F2PRSS1PRSS2PRSS3
SCHEMBL6602824 0.72 F10 (0.69) F10F2KLKB1PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP claimed
US-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors JACOBSON IRINA C (US) 2003-05-22 US claimed
US-6429205-B1 ANTICOAGULANTS BRISTOL-MEYERS SQUIBB PHARMA COMPANY 2002-08-06 US claimed
EP-1196412-B1 NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-09 EP disclosed
US-6716841-B2 SUCH AS 1-((1-(3-(AMINOMETHYL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL)CARBONYL) -5-(2-( AMINOSULFONYL)PHENYL)-2,3-DIHYDRO-1H-INDOLE FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS; ANTICOAGULANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-06 US disclosed
US-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors JACOBSON IRINA C (US) 2003-05-22 US disclosed
US-6429205-B1 ANTICOAGULANTS BRISTOL-MEYERS SQUIBB PHARMA COMPANY 2002-08-06 US 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-20030096820-A1 Nitrogen containing heterobicycles as factor Xa inhibitors SERPINC1, CTRB1, F2 F10 25/4885F2 3/4885KLKB1 352/4885

“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.