SCHEMBL4095119

SCHEMBL4095119

CSc1nc(-c2ccnc(NC(C)c3ccccc3)c2)cc(N2C[C@@H]3C[C@H]2CN3C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.43
MAPK14 Q16539 15/20 0.42
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
CAMK2D Q13557 2/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
ERBB2 P04626 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.37

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
SCHEMBL13708539 1.00 MAP3K12 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4095118 1.00 MAP3K12 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4096966 0.86 MAPK14 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4098759 0.86 MAPK14 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4098756 0.86 MAPK14 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL13708538 0.86 MAPK14 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4092452 0.84 MAPK14 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL13708552 0.84 MAPK14 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4103101 0.83 HDAC1 (0.41) MAPK14MAPK13MAPK12MAPK11CAMK2D
SCHEMBL4091120 0.83 MAP3K12 (0.43) MAP3K12MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US claimed
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-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US 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 1220/4885MAPK13 300/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAP3K12 285/4885MAPK14 964/4885MAPK13 321/4885

“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.