SCHEMBL2551224

SCHEMBL2551224

CN(C)c1cccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.78
THRB P10828 3/20 0.78
KLKB1 P03952 6/20 0.68
KLK1 P06870 1/20 0.67
F2 P00734 5/20 0.66
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 1/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
USP2 O75604 1/20 0.64
F10 P00742 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.62
GAA P10253 1/20 0.59
HTT P42858 1/20 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
SCHEMBL14688260 0.94 MAPT (0.73) MAPTTHRBKLKB1KLK1F2
SCHEMBL2555507 0.92 MAPT (0.67) MAPTTHRBKLKB1KLK1F2
SCHEMBL14688873 0.90 KLKB1 (0.77) MAPTTHRBKLKB1KLK1F2
SCHEMBL2553680 0.90 MAPT (0.77) MAPTTHRBKLKB1KLK1F2
SCHEMBL2556993 0.90 KLKB1 (0.76) MAPTTHRBKLKB1KLK1F2
SCHEMBL2579641 0.86 MAPT (0.81) MAPTTHRBKLKB1KLK1F2
SCHEMBL2566142 0.86 KLKB1 (0.65) MAPTTHRBKLKB1KLK1F2
SCHEMBL2553179 0.84 MAPT (0.81) MAPTTHRBKLKB1KLK1F2
SCHEMBL14688962 0.84 MAPT (0.56) MAPTTHRBKLKB1KLK1F2
SCHEMBL2555712 0.84 KLKB1 (0.76) KLKB1KLK1F2F10

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 1854/4885THRB 635/4885KLKB1 148/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885KLKB1 148/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 MAPT 1854/4885THRB 635/4885KLKB1 148/4885

“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.