SCHEMBL14688288

SCHEMBL14688288

O=C(c1ccc(Cl)cc1)n1nc(-c2cccnc2)cc1NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
THRB P10828 2/20 0.58
F2 P00734 7/20 0.56
KLKB1 P03952 4/20 0.52
F12 P00748 1/20 0.51
KLK7 P49862 1/20 0.51
KLK5 Q9Y337 1/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
KLK1 P06870 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE5A O76074 2/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL2563243 0.96 F2 (0.58) MAPTTHRBF2KLKB1F12
SCHEMBL2564484 0.93 F2 (0.60) MAPTTHRBF2KLKB1F12
SCHEMBL2561986 0.92 KLKB1 (0.55) MAPTTHRBF2KLKB1TP53
SCHEMBL2569730 0.91 F2 (0.58) MAPTTHRBF2KLKB1TP53
SCHEMBL14688731 0.90 MAPT (0.72) MAPTTHRBF2KLKB1GAA
SCHEMBL2571080 0.90 MAPT (0.64) MAPTTHRBF2KLKB1F12
SCHEMBL2564190 0.90 MAPT (0.69) MAPTTHRBF2KLKB1TP53
SCHEMBL2572246 0.90 F2 (0.58) MAPTTHRBF2KLKB1KLK7
SCHEMBL2561284 0.89 GAA (0.61) MAPTTHRBF2KLKB1TP53
SCHEMBL2567902 0.89 F2 (0.57) MAPTTHRBF2KLKB1F12

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
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 US claimed
CN-102918034-B Polysubstituted aromatic compounds as inhibitors of thrombin VERSEON CORP 2015-06-03 CN 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
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US 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 MAPT 1854/4885THRB 635/4885F2 4/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885F2 4/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885F2 4/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885F2 4/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885F2 4/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885F2 4/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885F2 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.