SCHEMBL10053371

SCHEMBL10053371

CC(=O)O[C@@H](C(=O)N1N=CC[C@H]1C(=O)NCc1cc(Cl)ccc1-n1cnnn1)c1ccc(F)cc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.87
CYP3A4 P08684 5/20 0.87
PRSS1 P07477 2/20 0.87
KCNH2 Q12809 3/20 0.85
F9 P00740 1/20 0.79
F10 P00742 1/20 0.79
PLAT P00750 1/20 0.79
F11 P03951 1/20 0.79
KLKB1 P03952 1/20 0.79
F7 P08709 1/20 0.79
TBXA2R P21731 1/20 0.79
PRSS3 P35030 1/20 0.79
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
SCHEMBL642754 0.94 F2 (0.86) F2CYP3A4PRSS1KCNH2F9
SCHEMBL642755 0.94 F2 (0.86) F2CYP3A4PRSS1KCNH2F9
Azd-8165 SCHEMBL31142527 0.93 F2 (1.00) F2CYP3A4PRSS1KCNH2F9
Azd-8165 SCHEMBL642431 0.93 F2 (1.00) F2CYP3A4PRSS1KCNH2F9
Azd-8165 SCHEMBL642430 0.93 F2 (1.00) F2CYP3A4PRSS1KCNH2F9
SCHEMBL642373 0.92 CYP3A4 (1.00) F2CYP3A4PRSS1KCNH2F9
SCHEMBL641929 0.92 F2 (0.87) F2CYP3A4PRSS1KCNH2F9
SCHEMBL641928 0.92 F2 (0.87) F2CYP3A4PRSS1KCNH2F9
SCHEMBL642372 0.92 CYP3A4 (1.00) F2CYP3A4PRSS1KCNH2F9
SCHEMBL644470 0.91 KCNH2 (1.00) F2CYP3A4PRSS1KCNH2F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 19/4885CYP3A4 222/4885PRSS1 4/4885
US-20090318517-A1 Novel Compounds 148 SERPINB1, SPINT2, TFPI F2 32/4885CYP3A4 286/4885PRSS1 4/4885

“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.