SCHEMBL4092528

SCHEMBL4092528

C[C@H](Nc1cc(-n2nc(N3CC4CC3CN4C)c3cc(F)ccc32)ccn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.47
HTR7 P34969 1/20 0.40
MAPK14 Q16539 9/20 0.39
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
CSNK1D P48730 1/20 0.39
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

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
SCHEMBL4091257 0.91 PLK1 (0.46) PLK1HTR7MAPK14CSNK1D
SCHEMBL4084915 0.87 PLK1 (0.47) PLK1HTR7MAPK14CSNK1D
SCHEMBL4089361 0.82 PLK1 (0.42) PLK1HTR7MAPK14MAPK13MAPK12
SCHEMBL4094651 0.82 PLK1 (0.42) PLK1HTR7
SCHEMBL4094807 0.82 PLK1 (0.42) PLK1HTR7
SCHEMBL4084908 0.82 PLK1 (0.42) PLK1HTR7
SCHEMBL4084323 0.81 PLK1 (0.49) PLK1HTR7MAPK14
SCHEMBL4101712 0.81 PLK1 (0.49) PLK1HTR7MAPK14
SCHEMBL4095132 0.80 PLK1 (0.41) PLK1HTR7
SCHEMBL4094443 0.79 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11SRC

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 claimed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 WO 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 PLK1 1061/4885HTR7 699/4885MAPK14 1220/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PLK1 1156/4885HTR7 642/4885MAPK14 964/4885

“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.