SCHEMBL2550159

SCHEMBL2550159

CN(C)c1ccc(C(=O)n2nc(-c3ccncc3)nc2NCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 9/20 0.80
MAPT P10636 8/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
F2 P00734 4/20 0.69
RAB9A P51151 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
LMNA P02545 2/20 0.69
MAPK1 P28482 1/20 0.69
NPC1 O15118 1/20 0.64
PKM P14618 1/20 0.64
ALDH1A1 P00352 2/20 0.61
HTT P42858 2/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
KLK1 P06870 2/20 0.58

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
SCHEMBL14688643 0.96 KLKB1 (0.80) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL2557181 0.94 MAPT (0.78) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL14833330 0.89 KLKB1 (1.00) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL14688709 0.89 KLKB1 (0.95) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL14688223 0.89 KLKB1 (0.76) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL2553680 0.89 MAPT (0.77) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL2556993 0.89 KLKB1 (0.76) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL2552776 0.89 KLKB1 (0.85) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL14688780 0.87 KLKB1 (0.95) KLKB1MAPTSMN1; SMN2F2RAB9A
SCHEMBL2555680 0.87 KLKB1 (0.91) KLKB1MAPTSMN1; SMN2F2RAB9A

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 1854/4885SMN1; SMN2 3708/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885SMN1; SMN2 3708/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 KLKB1 148/4885MAPT 1854/4885SMN1; SMN2 3708/4885

“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.