SCHEMBL6578699

SCHEMBL6578699

Cc1c(F)c(F)nc(N(C)c2cccc(C#N)c2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.50
F10 P00742 2/20 0.50
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM5 P41594 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
SYK P43405 1/20 0.34
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33

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
SCHEMBL6579110 0.93 F2 (0.56) F2F10ALDH1A1CYP1A2CYP3A4
SCHEMBL7686054 0.85 MAPT (0.37) F2F10ALDH1A1CYP1A2CYP3A4
SCHEMBL6581479 0.82 F10 (0.64) F2F10
SCHEMBL6579755 0.82 SYK (0.49) F2F10ABCG2SYK
SCHEMBL6580563 0.72 ADORA2A (0.46) CLK4
SCHEMBL12060550 0.70 KCNA5 (0.49) ALDH1A1CYP1A2CYP3A4CLK4MEN1
SCHEMBL6576366 0.69 SYK (0.61) F10ABCG2SYK
SCHEMBL6578904 0.69 F10 (0.52) F2F10
SCHEMBL151270 0.68 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CLK4MEN1
SCHEMBL6579247 0.68 F10 (0.65) F2F10

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 17 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-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-21 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-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 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
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US 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 (3 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 F2 4/4885F10 44/4885ALDH1A1 1000/4885
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 F2 4/4885F10 44/4885ALDH1A1 1000/4885
US-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 F2 4/4885F10 49/4885ALDH1A1 1036/4885

“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.