SCHEMBL643629

SCHEMBL643629

O=C(NCc1cc(Cl)ccc1-n1cnnn1)[C@@H]1CCNN1C(=O)C(O)c1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.59
PRSS1 P07477 2/20 0.59
F9 P00740 1/20 0.59
F10 P00742 1/20 0.59
PLAT P00750 1/20 0.59
F11 P03951 1/20 0.59
KLKB1 P03952 1/20 0.59
F7 P08709 1/20 0.59
TBXA2R P21731 1/20 0.59
PRSS3 P35030 1/20 0.59
CYP3A4 P08684 5/20 0.53
KCNH2 Q12809 3/20 0.51

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
SCHEMBL643295 0.92 CYP3A4 (0.57) F2PRSS1F9F10PLAT
SCHEMBL642291 0.90 F2 (0.72) F2PRSS1F9F10PLAT
SCHEMBL642219 0.86 CYP3A4 (0.71) F2PRSS1F9F10PLAT
SCHEMBL643578 0.85 F2 (0.59) F2PRSS1F9F10PLAT
SCHEMBL641242 0.84 F2 (0.82) F2PRSS1F9F10PLAT
SCHEMBL642144 0.83 CYP3A4 (0.65) F2PRSS1F9F10PLAT
SCHEMBL643221 0.82 CYP3A4 (0.54) F2PRSS1F9F10PLAT
SCHEMBL641197 0.82 CYP3A4 (0.55) F2PRSS1F9F10PLAT
SCHEMBL643661 0.81 CYP3A4 (0.59) F2PRSS1F9F10PLAT
SCHEMBL641518 0.77 CYP3A4 (0.57) 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 15 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
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.