SCHEMBL4099784

SCHEMBL4099784

CCCCN1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(NC(C)c3ccccc3)c2)cc2nccn12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
ERBB2 P04626 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CAMK2D Q13557 3/20 0.35
IDH1 O75874 1/20 0.34
MAPK10 P53779 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL4099781 1.00 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL13708563 1.00 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4098856 0.95 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4098938 0.95 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4098943 0.95 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4084897 0.92 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4094696 0.92 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4084894 0.92 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4084490 0.92 HTR7 (0.41) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4084309 0.90 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11EGFR

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-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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
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 1220/4885MAPK13 300/4885MAPK12 756/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885MAPK13 321/4885MAPK12 639/4885

“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.