SCHEMBL2552512

SCHEMBL2552512

NC(=O)c1ccccc1-c1cnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
CSNK1A1 P48729 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
TYRO3 Q06418 1/20 0.46
CHEK1 O14757 2/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
MAP4K4 O95819 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
FLT3 P36888 1/20 0.41
PRKX P51817 1/20 0.41
CDK5 Q00535 1/20 0.41
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL4554108 0.86 KEAP1 (0.44) BCAT2CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL15896896 0.85 CYP3A4 (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL4552526 0.80 MKNK1 (0.38) BCAT2BTKCDC7
SCHEMBL4760375 0.75 IDO1 (0.58) BCAT2CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL27323238 0.75 IDO1 (0.59) BCAT2CSNK1A1DYRK1BTYRO3NUDT1
SCHEMBL30514077 0.73 BCAT2 (0.74) BCAT2CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL210767 0.73 BCAT2 (0.74) BCAT2CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL4064876 0.72 MASP2 (0.50) BCAT2CSNK1A1DYRK1BTYRO3NUDT1
SCHEMBL1110181 0.71 BCAT2 (0.71) BCAT2CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL31012518 0.71 BCAT2 (0.71) BCAT2CSNK1A1DYRK1BTYRO3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114340610-A Multivalent fibroblast targeting agents and methods of use 普渡研究基金会 2022-04-12 CN disclosed
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2017-11-16 US disclosed
US-9533967-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2017-01-03 US disclosed
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-09-08 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
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 (7 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-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 BCAT2 942/4885CSNK1A1 4396/4885DYRK1B 2939/4885

“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.