SCHEMBL2553316

SCHEMBL2553316

O=C(c1ccccc1)n1nc(-c2ccncc2)nc1NCc1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.85
MAPT P10636 9/20 0.70
THRB P10828 2/20 0.66
KLK1 P06870 2/20 0.66
GAA P10253 1/20 0.66
F2 P00734 5/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
POLB P06746 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
TP53 P04637 1/20 0.63
USP2 O75604 1/20 0.60
F10 P00742 1/20 0.60
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL2549973 0.96 KLKB1 (0.77) KLKB1MAPTTHRBKLK1GAA
SCHEMBL2551142 0.94 KLKB1 (0.85) KLKB1MAPTTHRBKLK1GAA
SCHEMBL2553179 0.92 MAPT (0.81) KLKB1MAPTTHRBKLK1GAA
SCHEMBL14833330 0.92 KLKB1 (1.00) KLKB1MAPTTHRBKLK1GAA
SCHEMBL14688780 0.90 KLKB1 (0.95) KLKB1MAPTTHRBKLK1GAA
SCHEMBL14688709 0.90 KLKB1 (0.95) KLKB1MAPTTHRBKLK1F2
SCHEMBL2553684 0.89 KLKB1 (0.83) KLKB1MAPTTHRBKLK1GAA
SCHEMBL14687842 0.89 MAPT (0.83) KLKB1MAPTTHRBKLK1GAA
SCHEMBL2570804 0.89 GAA (0.79) KLKB1MAPTTHRBKLK1GAA
SCHEMBL2555680 0.88 KLKB1 (0.91) KLKB1MAPTTHRBKLK1F2

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 1854/4885THRB 635/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885THRB 635/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885THRB 635/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885THRB 635/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885THRB 635/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885THRB 635/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 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.