SCHEMBL643108

SCHEMBL643108

O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCON1C(=O)C(O)c1cccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.55
PRSS1 P07477 2/20 0.55
F9 P00740 1/20 0.55
F10 P00742 1/20 0.55
PLAT P00750 1/20 0.55
F11 P03951 1/20 0.55
KLKB1 P03952 1/20 0.55
F7 P08709 1/20 0.55
TBXA2R P21731 1/20 0.55
PRSS3 P35030 1/20 0.55
CYP3A4 P08684 5/20 0.55
KCNH2 Q12809 3/20 0.48
MASP2 O00187 1/20 0.40
F12 P00748 1/20 0.40

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
SCHEMBL641518 0.95 CYP3A4 (0.57) F2PRSS1F9F10PLAT
SCHEMBL643578 0.90 F2 (0.59) F2PRSS1F9F10PLAT
SCHEMBL642541 0.87 F2 (0.63) F2PRSS1F9F10PLAT
SCHEMBL641429 0.87 F2 (0.72) F2PRSS1F9F10PLAT
SCHEMBL641343 0.87 CYP3A4 (0.71) F2PRSS1F9F10PLAT
SCHEMBL642760 0.85 CYP3A4 (0.60) F2PRSS1F9F10PLAT
SCHEMBL643657 0.84 F2 (0.77) F2PRSS1F9F10PLAT
SCHEMBL643997 0.84 CYP3A4 (0.59) F2PRSS1F9F10PLAT
SCHEMBL643375 0.83 CYP3A4 (0.65) F2PRSS1F9F10PLAT
SCHEMBL641342 0.83 CYP3A4 (0.55) F2PRSS1F9F10PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011525487-A 2011-09-22 JP claimed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 US claimed
EP-2321301-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2011-05-18 EP claimed
WO-2009157860-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2009-12-30 WO claimed
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 US disclosed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 US disclosed
EP-2321301-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2011-05-18 EP disclosed
WO-2009157860-A1 NEW HETEROCYCLIC CARBOXAMIDES FOR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2009-12-30 WO disclosed
US-20090318517-A1 Novel Compounds 148 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090318517-A1 Novel Compounds 148 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090318517-A1 Novel Compounds 148 ASTRAZENECA AB (SE) 2009-12-24 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 (2 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-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors TFPI, TFPI2, SPINT2 F2 19/4885PRSS1 4/4885F9 310/4885
US-20090318517-A1 Novel Compounds 148 SERPINB1, SPINT2, TFPI F2 32/4885PRSS1 4/4885F9 1108/4885

“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.