SCHEMBL2553680

SCHEMBL2553680

CN(C)c1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.77
KLKB1 P03952 6/20 0.71
TP53 P04637 1/20 0.71
THRB P10828 3/20 0.70
KLK1 P06870 1/20 0.70
F2 P00734 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
POLB P06746 1/20 0.68
LMNA P02545 2/20 0.67
USP2 O75604 1/20 0.67
F10 P00742 1/20 0.67
RAB9A P51151 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
MAPK1 P28482 2/20 0.66
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61

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
SCHEMBL14688873 0.96 KLKB1 (0.77) MAPTKLKB1TP53THRBKLK1
SCHEMBL2557181 0.91 MAPT (0.78) MAPTKLKB1KLK1F2SMN1; SMN2
SCHEMBL2551224 0.90 MAPT (0.78) MAPTKLKB1TP53THRBKLK1
SCHEMBL14688260 0.90 MAPT (0.73) MAPTKLKB1TP53THRBKLK1
SCHEMBL2550159 0.89 KLKB1 (0.80) MAPTKLKB1TP53THRBKLK1
SCHEMBL14687842 0.88 MAPT (0.83) MAPTKLKB1TP53THRBKLK1
SCHEMBL2579641 0.87 MAPT (0.81) MAPTKLKB1TP53THRBKLK1
SCHEMBL2553179 0.87 MAPT (0.81) MAPTKLKB1TP53THRBKLK1
SCHEMBL2553684 0.86 KLKB1 (0.83) MAPTKLKB1TP53THRBKLK1
SCHEMBL2552639 0.86 MAPT (0.78) MAPTKLKB1TP53THRBKLK1

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 MAPT 1854/4885KLKB1 148/4885TP53 2319/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KLKB1 148/4885TP53 2319/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885KLKB1 148/4885TP53 2319/4885

“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.