SCHEMBL2565571

SCHEMBL2565571

CN(C)c1ccc(CNc2nc(-c3cccs3)nn2C(=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.64
MAPT P10636 10/20 0.61
RAB9A P51151 5/20 0.61
F2 P00734 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
MAPK1 P28482 2/20 0.61
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 4/20 0.54
HPGD P15428 2/20 0.54
MEN1 O00255 2/20 0.54
KLK1 P06870 4/20 0.53
F10 P00742 1/20 0.52
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.47
CYP1A2 P05177 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
SCHEMBL14688338 0.96 KLKB1 (0.66) KLKB1MAPTRAB9AF2SMN1; SMN2
SCHEMBL14688483 0.90 KLKB1 (0.73) KLKB1MAPTRAB9AF2SMN1; SMN2
SCHEMBL2572812 0.90 KLKB1 (0.61) KLKB1MAPTRAB9AF2SMN1; SMN2
SCHEMBL2554313 0.90 KLKB1 (0.63) KLKB1MAPTRAB9AF2SMN1; SMN2
SCHEMBL2551187 0.89 KLKB1 (0.69) KLKB1MAPTRAB9AF2LMNA
SCHEMBL2552575 0.87 MAPT (0.70) KLKB1MAPTRAB9AF2LMNA
SCHEMBL2553668 0.87 KLKB1 (0.64) KLKB1MAPTRAB9AF2SMN1; SMN2
SCHEMBL14688555 0.87 KLKB1 (0.71) KLKB1MAPTRAB9AF2LMNA
SCHEMBL14689068 0.86 KLKB1 (0.72) KLKB1MAPTRAB9AF2SMN1; SMN2
SCHEMBL2552425 0.85 KLKB1 (0.72) KLKB1MAPTRAB9AF2SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 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 (3 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-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885RAB9A 1958/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885RAB9A 1958/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885RAB9A 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.