SCHEMBL2554048

SCHEMBL2554048

N#Cc1cccc(CNc2cc(-c3cccnc3)nn2C(=O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.51
MAPT P10636 4/20 0.49
THRB P10828 2/20 0.49
F2 P00734 1/20 0.49
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
HSD17B10 Q99714 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 2/20 0.47
KLKB1 P03952 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 3/20 0.46
ALOX15 P16050 2/20 0.46
GRM5 P41594 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL2574936 0.94 MAPT (0.54) VNN1MAPTTHRBF2ALDH1A1
SCHEMBL2552635 0.92 VNN1 (0.53) VNN1F2ALDH1A1CYP1A2CYP3A4
SCHEMBL2571888 0.91 F2 (0.55) MAPTTHRBF2ALDH1A1KLKB1
SCHEMBL2578230 0.91 MAPT (0.53) MAPTTHRBF2ALDH1A1KLKB1
SCHEMBL2564484 0.88 F2 (0.60) MAPTTHRBF2ALDH1A1CYP1A2
SCHEMBL2567902 0.87 F2 (0.57) VNN1MAPTTHRBF2ALDH1A1
SCHEMBL2573709 0.86 GRM5 (0.55) VNN1MAPTTHRBF2ALDH1A1
SCHEMBL2571756 0.86 MAPT (0.64) VNN1MAPTTHRBF2ALDH1A1
SCHEMBL2571434 0.86 F2 (0.59) MAPTTHRBF2ALDH1A1KLKB1
SCHEMBL2571080 0.86 MAPT (0.64) MAPTTHRBF2ALDH1A1KLKB1

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 15 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
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US claimed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US 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 VNN1 1657/4885MAPT 1854/4885THRB 635/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 VNN1 1657/4885MAPT 1854/4885THRB 635/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 VNN1 1657/4885MAPT 1854/4885THRB 635/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 VNN1 1657/4885MAPT 1854/4885THRB 635/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 VNN1 1657/4885MAPT 1854/4885THRB 635/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 VNN1 1657/4885MAPT 1854/4885THRB 635/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 VNN1 1657/4885MAPT 1854/4885THRB 635/4885

“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.