SCHEMBL2562809

SCHEMBL2562809

O=C(c1ccccc1)n1nc(-c2cccnc2)cc1NCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.54
KLKB1 P03952 5/20 0.47
F12 P00748 2/20 0.47
MAPT P10636 4/20 0.45
THRB P10828 2/20 0.45
KLK1 P06870 2/20 0.45
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2A6 P11509 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL2563531 0.92 F2 (0.59) F2KLKB1MAPTKLK1NPC1
SCHEMBL2564484 0.87 F2 (0.60) F2KLKB1F12MAPTTHRB
SCHEMBL2567902 0.86 F2 (0.57) F2KLKB1F12MAPTTHRB
SCHEMBL2564273 0.85 F2 (0.58) F2KLKB1F12MAPTTHRB
SCHEMBL2561284 0.84 GAA (0.61) F2KLKB1MAPTTHRBKLK1
SCHEMBL2565228 0.84 F2 (0.54) F2KLKB1MAPTTHRBKLK1
SCHEMBL2569730 0.83 F2 (0.58) F2KLKB1MAPTTHRBKLK1
SCHEMBL2570376 0.82 F2 (0.72) F2KLKB1MAPTTHRBKLK1
SCHEMBL2573904 0.82 F2 (0.51) F2KLKB1F12MAPTTHRB
SCHEMBL2563243 0.82 F2 (0.58) F2KLKB1F12MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560966-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INT CORPORATION (US) 2021-01-06 EP claimed
CN-104940200-B Inhibitor of the polysubstituted aromatic compounds as fibrin ferment 维颂公司 2019-06-28 CN claimed
EP-2560966-B1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INT CORPORATION (US) 2021-01-06 EP disclosed
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2017-11-16 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-09-08 US disclosed
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-19 US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 US disclosed
EP-2560966-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2013-02-27 EP disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 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 (7 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-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F2 4/4885KLKB1 148/4885F12 33/4885

“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.