SCHEMBL5492686

SCHEMBL5492686

Cc1cc(NC(=O)C2CC2)ccc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.65
KDR P35968 7/20 0.65
MAPK14 Q16539 7/20 0.65
MAPK9 P45984 2/20 0.65
MAPK10 P53779 2/20 0.65
KIT P10721 1/20 0.65
RIPK1 Q13546 1/20 0.63
RIPK3 Q9Y572 1/20 0.63
JAK3 P52333 4/20 0.59
SRC P12931 1/20 0.59
TYK2 P29597 1/20 0.59
SYK P43405 1/20 0.59
MAPK8 P45983 1/20 0.59
BTK Q06187 1/20 0.59
ABL1 P00519 10/20 0.50
GBA1 P04062 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5492707 0.94 LCK (0.71) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5502267 0.80 RIPK1 (0.70) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5498040 0.79 MAPK14 (0.78) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5505067 0.78 MAPK14 (1.00) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5497889 0.78 MAPK14 (0.80) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5496632 0.78 RIPK1 (0.70) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5494598 0.78 MAPK14 (0.76) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5498815 0.77 MAPK14 (0.94) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5489617 0.77 MAPK14 (0.94) LCKKDRMAPK14MAPK9MAPK10
SCHEMBL5501508 0.77 MAPK14 (0.83) LCKKDRMAPK14MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed
EP-2928470-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS Siga Technologies, Inc. (US) 2015-10-14 EP disclosed
EP-2760833-A1 PYRIDINE DERIVATIVES Endo Pharmaceuticals Inc. (US) 2014-08-06 EP disclosed
WO-2014089378-A1 THIENOPYRIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DENGUE VIRUS INFECTIONS SIGA TECHNOLOGIES, INC. (US) 2014-06-12 WO disclosed
WO-2013049559-A1 PYRIDINE DERIVATIVES ENDO PHARMACEUTICALS INC. (US) 2013-04-04 WO disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
EP-1585737-A2 URACILS HAVING A HERBICIDAL ACTIVITY Isagro Ricerca S.r.l. (IT) 2005-10-19 EP disclosed
EP-1451164-A2 AMIDE DERIVATIVES HAVING IMPROVED SOLUBILITY PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP disclosed
WO-2004056785-A2 URACILS HAVING A HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 2004-07-08 WO disclosed
WO-2003006440-A2 AMIDE-CONTAINING COMPOUND HAVING IMPROVED SOLUBILITY AND METHOD OF IMPROVING THE SOLUBILITY OF AN AMIDE-CONTAINING COMPOUND PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 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 (1 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885MAPK14 301/4885

“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.