SCHEMBL4089246

SCHEMBL4089246

CC(Nc1cc(-c2ccnc(N3CC4CC3CN4)c2)ccn1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.45
WNT1 P04628 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
MAPK10 P53779 1/20 0.42
HTR7 P34969 1/20 0.42
PRKCI P41743 2/20 0.42
MAPK13 O15264 4/20 0.41
MAPK12 P53778 4/20 0.41
MAPK11 Q15759 4/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ERBB2 P04626 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CHRNB2 P17787 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
SCHEMBL4101838 1.00 MAPK14 (0.45) MAPK14WNT1CLK2CLK3GSK3B
SCHEMBL13708549 1.00 MAPK14 (0.45) MAPK14WNT1CLK2CLK3GSK3B
SCHEMBL4096966 0.84 MAPK14 (0.43) MAPK14MAPK10PRKCIMAPK13MAPK12
SCHEMBL13708538 0.84 MAPK14 (0.43) MAPK14MAPK10PRKCIMAPK13MAPK12
SCHEMBL4098756 0.84 MAPK14 (0.43) MAPK14MAPK10PRKCIMAPK13MAPK12
SCHEMBL4098759 0.84 MAPK14 (0.43) MAPK14MAPK10PRKCIMAPK13MAPK12
SCHEMBL13708552 0.83 MAPK14 (0.43) MAPK14MAPK10HTR7MAPK13MAPK12
SCHEMBL4092452 0.83 MAPK14 (0.43) MAPK14MAPK10HTR7MAPK13MAPK12
SCHEMBL4089052 0.83 PRKCI (0.44) MAPK14MAPK10PRKCIMAPK13MAPK12
SCHEMBL4084234 0.83 PRKCI (0.44) MAPK14MAPK10PRKCIMAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 1220/4885WNT1 1673/4885CLK2 1647/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885WNT1 1872/4885CLK2 1392/4885

“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.