SCHEMBL2565797

SCHEMBL2565797

COc1cccc(CNc2nc(-c3cccs3)nn2C(=O)c2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.68
MAPT P10636 11/20 0.59
TP53 P04637 2/20 0.59
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
KLK1 P06870 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
F2 P00734 2/20 0.49
F10 P00742 2/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL14688658 0.94 KLKB1 (0.71) KLKB1MAPTTP53KDM4EALDH1A1
SCHEMBL2549592 0.90 KLKB1 (0.75) KLKB1MAPTKDM4EALDH1A1KMT2A
SCHEMBL14689068 0.90 KLKB1 (0.72) KLKB1MAPTKDM4EALDH1A1KMT2A
SCHEMBL2554211 0.88 KLKB1 (0.64) KLKB1MAPTTP53KDM4EALDH1A1
SCHEMBL14688483 0.87 KLKB1 (0.73) KLKB1MAPTKDM4EALDH1A1KMT2A
SCHEMBL2561092 0.86 MAPT (0.69) KLKB1MAPTKDM4EALDH1A1KMT2A
SCHEMBL2563132 0.86 KLKB1 (0.61) KLKB1MAPTTP53KDM4EALDH1A1
SCHEMBL2569187 0.86 KLKB1 (0.61) KLKB1MAPTTP53KDM4EALDH1A1
SCHEMBL2572812 0.85 KLKB1 (0.61) KLKB1MAPTTP53KDM4EALDH1A1
SCHEMBL2562111 0.85 KLKB1 (0.76) KLKB1MAPTKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 148/4885MAPT 1854/4885TP53 2319/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885TP53 2319/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885TP53 2319/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885TP53 2319/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885TP53 2319/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885TP53 2319/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885TP53 2319/4885

“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.