SCHEMBL5740371

SCHEMBL5740371

[CH2]c1cccc(C(=N)N)c1C(=N)N

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.34
F10 P00742 3/20 0.34
F12 P00748 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
PKM P14618 1/20 0.34
BLM P54132 1/20 0.33
PRSS1 P07477 5/20 0.32
PRSS2 P07478 5/20 0.32
PRSS3 P35030 5/20 0.32
C1S P09871 2/20 0.32
PLG P00747 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.31
WDR5 P61964 1/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL1467918 0.79 F2 (0.44) F2F10F12F7F3
SCHEMBL5846504 0.77 CES2 (0.41) F2F10F12F7F3
SCHEMBL10495291 0.76 ALDH1A1 (0.41) F2F10F12F7F3
SCHEMBL458997 0.76 F2 (0.41) F2F10F12F7F3
SCHEMBL10495281 0.70 F2 (0.55) F2F10F12F7F3
SCHEMBL28513902 0.69 BCAT2 (0.50) F2F10F12F7F3
SCHEMBL8988809 0.69 GAA (0.38) F2F10F12F7F3
SCHEMBL7083509 0.68 CYP2C19 (0.38) F2F10F12F7F3
Hydrochloric Acid SCHEMBL28555632 0.68 BLM (0.57) F2F10F12F7F3
Hydrochloric Acid SCHEMBL29008442 0.68 BLM (0.57) F2F10F12F7F3

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131315-B1 POLYHYDROXYLATED HETEROCYCLIC DERIVATIVES AS ANTI-COAGULANTS BERLEX LAB (US) 2006-01-11 EP disclosed
EP-0934310-B1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AG (DE) 2005-02-09 EP disclosed
EP-0888271-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-04-28 EP disclosed
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP disclosed
US-6686367-B2 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2004-02-03 US disclosed
US-6686364-B2 4-HYDROXY-3-((3,5-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2004-02-03 US disclosed
EP-0813525-B1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2003-10-01 EP disclosed
EP-0920430-B1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2003-09-24 EP disclosed
US-20030149040-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants BERLEX LABORATORIES, INC. 2003-08-07 US disclosed
US-5726173-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-03-10 US disclosed
WO-1998007723-A1 BICYCLIC PYRIMIDINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1998007725-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
US-5693641-A ENZYME INHIBITOR TREATING BLOOD DISORDER BERLEX LABORATORIES INC. (US) 1997-12-02 US disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed
WO-1997029067-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-08-14 WO disclosed
US-5612363-A FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1997-03-18 US disclosed
WO-1996038421-A1 N,N-DI(ARYLMETHYL)CYCLIC UREA DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-12-05 WO disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 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-20030149040-A1 Polyhydroxylated monocyclic N-heterocyclic derivatives as anti-coagulants F2, SERPINC1, F8 F2 1/4885F10 9/4885F12 6/4885

“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.