SCHEMBL2554237

SCHEMBL2554237

Nc1nc(-c2ccccc2)nn1C(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 4/20 0.76
KDM4E B2RXH2 4/20 0.74
KMT2A Q03164 9/20 0.68
ADORA1 P30542 2/20 0.68
ALDH1A1 P00352 1/20 0.68
ADORA2A P29274 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
GAA P10253 1/20 0.66
HSD17B10 Q99714 3/20 0.65
KLK7 P49862 3/20 0.65
KLK5 Q9Y337 3/20 0.65
USP2 O75604 1/20 0.65
MAPK1 P28482 1/20 0.65
MAPK10 P53779 1/20 0.65
F2 P00734 8/20 0.65
MAPT P10636 5/20 0.65
HPGD P15428 2/20 0.65
ALOX15 P16050 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
CYP1A2 P05177 1/20 0.61

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
SCHEMBL14688964 0.91 F12 (0.73) F12KDM4EKMT2AADORA1ALDH1A1
SCHEMBL14688331 0.87 F12 (1.00) F12KDM4EKMT2ASMN1; SMN2HSD17B10
SCHEMBL1251048 0.83 F2 (0.60) F12KDM4EKMT2AADORA1ALDH1A1
SCHEMBL14688640 0.81 F12 (0.82) F12F2
SCHEMBL14688407 0.79 F2 (1.00) F12KDM4EKMT2AADORA1ALDH1A1
SCHEMBL14688131 0.79 F2 (0.56) F12KDM4EKMT2AADORA1ALDH1A1
SCHEMBL1248143 0.75 CCNB2 (0.77) F12KMT2AMAPK1MAPK10F2
SCHEMBL2561654 0.75 F2 (1.00) F12KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL1250806 0.74 CCNB2 (0.67) F12KDM4ESMN1; SMN2MAPK1MAPK10
SCHEMBL8731193 0.73 GAA (0.57) F12KDM4EKMT2AADORA1ALDH1A1

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 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 F12 33/4885KDM4E 2301/4885KMT2A 2501/4885

“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.