SCHEMBL2556993

SCHEMBL2556993

CN(C)c1cccc(C(=O)n2nc(-c3ccncc3)nc2NCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.76
MAPT P10636 7/20 0.62
THRB P10828 2/20 0.62
F2 P00734 5/20 0.60
HTT P42858 3/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
RAB9A P51151 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.60
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
KLK1 P06870 2/20 0.55
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL14688223 0.94 KLKB1 (0.76) KLKB1MAPTTHRBF2HTT
SCHEMBL2555507 0.94 MAPT (0.67) KLKB1MAPTTHRBF2HTT
SCHEMBL2551224 0.90 MAPT (0.78) KLKB1MAPTTHRBF2HTT
SCHEMBL14688643 0.89 KLKB1 (0.80) KLKB1MAPTTHRBF2HTT
SCHEMBL2550159 0.89 KLKB1 (0.80) KLKB1MAPTTHRBF2HTT
SCHEMBL2566142 0.88 KLKB1 (0.65) KLKB1MAPTTHRBF2HTT
SCHEMBL14688673 0.87 MAPT (0.80) KLKB1MAPTTHRBF2HTT
SCHEMBL14833330 0.87 KLKB1 (1.00) KLKB1MAPTTHRBF2HTT
SCHEMBL2555712 0.86 KLKB1 (0.76) KLKB1F2KLK1
SCHEMBL14688469 0.85 MAPT (0.80) KLKB1MAPTTHRBF2HTT

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 1854/4885THRB 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.