SCHEMBL6579304

SCHEMBL6579304

N#Cc1cccc(Oc2ccnc(Oc3cccc(C#N)c3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
F10 P00742 1/20 0.49
GRM5 P41594 3/20 0.41
TBXAS1 P24557 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL7129617 0.86 F10 (0.40) MAP4K4F10GRM5
SCHEMBL8605442 0.84 MEN1 (0.53) MAP4K4TBXAS1CLK4CKS1BSKP2
SCHEMBL6579300 0.82 MAP4K4 (0.62) MAP4K4F10GRM5TBXAS1JAK2
SCHEMBL7130914 0.79 KMT2A (0.43) MAP4K4F10GRM5CYP3A4MEN1
SCHEMBL7077027 0.79 KMT2A (0.43) MAP4K4F10GRM5CYP3A4MEN1
SCHEMBL7071599 0.77 MAP4K4 (0.45) MAP4K4F10GRM5JAK2JAK1
SCHEMBL6577317 0.77 MAP4K4 (0.56) MAP4K4F10GRM5SLC6A2SLC6A4
SCHEMBL7070093 0.77 AR (0.41) F10ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL3292693 0.77 AR (0.48) MAP4K4GRM5TBXAS1JAK2JAK1
SCHEMBL4272019 0.76 ALDH1A1 (0.47) MAP4K4F10ALDH1A1CYP1A2MEN1

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
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP 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
US-6479485-B2 4-HYDROXY-3-((3,4-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; INHIBITION OF BLOOD COAGGULATION FACTOR XA BERLEX LABORATORIES, INC. 2002-11-12 US disclosed
US-6465459-B2 INHIBIT THE ENZYME, FACTOR XA BERLEX LABORATORIES, INC. 2002-10-15 US disclosed
US-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-14 US disclosed
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-07 US disclosed
US-6350746-B1 FACTOR XA ENZYME INHIBITORS BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
US-6034103-A THROMBOSIS THERAPY BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US disclosed
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5877181-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-02 US disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 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-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 MAP4K4 1870/4885F10 44/4885GRM5 3198/4885
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 MAP4K4 1870/4885F10 44/4885GRM5 3198/4885

“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.