SCHEMBL2557181

SCHEMBL2557181

CN(C)c1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.78
F2 P00734 8/20 0.78
RAB9A P51151 5/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
TDP1 Q9NUW8 2/20 0.78
LMNA P02545 2/20 0.78
MAPK1 P28482 2/20 0.78
NPC1 O15118 1/20 0.72
PKM P14618 1/20 0.72
KLKB1 P03952 5/20 0.69
KMT2A Q03164 5/20 0.69
HTT P42858 3/20 0.69
ALDH1A1 P00352 3/20 0.69
POLB P06746 2/20 0.69
MEN1 O00255 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
HPGD P15428 1/20 0.69
CYP2C19 P33261 1/20 0.69
TSHR P16473 3/20 0.65

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
SCHEMBL2550159 0.94 KLKB1 (0.80) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL2553680 0.91 MAPT (0.77) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL14688643 0.89 KLKB1 (0.80) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL2553904 0.88 KLKB1 (0.86) MAPTF2RAB9ASMN1; SMN2LMNA
SCHEMBL2555507 0.88 MAPT (0.67) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL2566142 0.88 KLKB1 (0.65) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL14688873 0.87 KLKB1 (0.77) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL2550221 0.86 KLKB1 (0.82) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL14688745 0.86 TP53 (0.70) MAPTF2RAB9ASMN1; SMN2TDP1
SCHEMBL14688338 0.86 KLKB1 (0.66) MAPTF2RAB9ASMN1; SMN2TDP1

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 MAPT 1854/4885F2 4/4885RAB9A 1958/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885F2 4/4885RAB9A 1958/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885F2 4/4885RAB9A 1958/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885F2 4/4885RAB9A 1958/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 MAPT 1854/4885F2 4/4885RAB9A 1958/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885F2 4/4885RAB9A 1958/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885F2 4/4885RAB9A 1958/4885

“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.