SCHEMBL4091120

SCHEMBL4091120

Cc1cc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)nc(N2CC3CC2CN3C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.43
MAPK14 Q16539 11/20 0.41
CAMK2D Q13557 5/20 0.41
MAPK10 P53779 1/20 0.40
MAPK13 O15264 4/20 0.40
MAPK12 P53778 4/20 0.40
MAPK11 Q15759 4/20 0.40
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
ERBB2 P04626 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
SORD Q00796 1/20 0.38

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
SCHEMBL4089044 0.91 CAMK2D (0.45) MAP3K12MAPK14CAMK2DMAPK10MAPK13
SCHEMBL4094682 0.91 CAMK2D (0.45) MAP3K12MAPK14CAMK2DMAPK10MAPK13
SCHEMBL4094680 0.91 CAMK2D (0.45) MAP3K12MAPK14CAMK2DMAPK10MAPK13
SCHEMBL4089059 0.91 CAMK2D (0.45) MAP3K12MAPK14CAMK2DMAPK10MAPK13
SCHEMBL4089050 0.91 CAMK2D (0.45) MAP3K12MAPK14CAMK2DMAPK10MAPK13
SCHEMBL4091114 0.86 MAP3K12 (0.40) MAP3K12MAPK14CAMK2DMAPK13MAPK12
SCHEMBL13708562 0.86 MAP3K12 (0.40) MAP3K12MAPK14CAMK2DMAPK13MAPK12
SCHEMBL4091109 0.86 MAP3K12 (0.40) MAP3K12MAPK14CAMK2DMAPK13MAPK12
SCHEMBL4091116 0.86 MAP3K12 (0.40) MAP3K12MAPK14CAMK2DMAPK13MAPK12
SCHEMBL4090017 0.85 MAPK14 (0.41) MAPK14CAMK2DMAPK10MAPK13MAPK12

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-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-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
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 MAP3K12 397/4885MAPK14 1220/4885CAMK2D 1026/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAP3K12 285/4885MAPK14 964/4885CAMK2D 923/4885

“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.