SCHEMBL2568604

SCHEMBL2568604

COc1ccc(CNc2cc(-c3cccnc3)nn2C(=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.70
KLK1 P06870 2/20 0.70
F2 P00734 6/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 9/20 0.55
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 3/20 0.54
HSD17B10 Q99714 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 2/20 0.54
EGFR P00533 1/20 0.51
F12 P00748 1/20 0.51
TUBB4A P04350 1/20 0.51

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
SCHEMBL14688669 0.96 KLKB1 (0.65) KLKB1KLK1F2LMNAHTT
SCHEMBL2554239 0.92 KLKB1 (0.58) KLKB1KLK1F2MAPK1MAPT
SCHEMBL2568814 0.91 KLKB1 (0.58) KLKB1KLK1F2LMNAHTT
SCHEMBL14688564 0.91 MAPT (0.62) KLKB1KLK1F2LMNAHTT
SCHEMBL2564484 0.90 F2 (0.60) KLKB1KLK1F2LMNAMAPT
SCHEMBL2565937 0.89 F2 (0.61) KLKB1KLK1F2LMNAMAPT
SCHEMBL2564273 0.88 F2 (0.58) KLKB1KLK1F2LMNAMAPT
SCHEMBL2566366 0.88 F2 (0.54) KLKB1KLK1F2HTTMAPK1
SCHEMBL2570376 0.87 F2 (0.72) KLKB1KLK1F2LMNAMAPT
SCHEMBL2563243 0.87 F2 (0.58) KLKB1KLK1F2TSHRMAPT

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
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-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 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 KLKB1 148/4885KLK1 282/4885F2 4/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885KLK1 282/4885F2 4/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885KLK1 282/4885F2 4/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885KLK1 282/4885F2 4/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 KLKB1 148/4885KLK1 282/4885F2 4/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885KLK1 282/4885F2 4/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885KLK1 282/4885F2 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.