SCHEMBL4100534

SCHEMBL4100534

C[C@H](Nc1cc(-c2cc3ncnn3c(N3C[C@@H]4C[C@H]3CN4)n2)ccn1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.39
MAPK10 P53779 1/20 0.38
PRKCI P41743 2/20 0.38
CAMK2D Q13557 3/20 0.38
IRAK4 Q9NWZ3 1/20 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
MAPK13 O15264 5/20 0.38
MAPK12 P53778 5/20 0.38
MAPK11 Q15759 5/20 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
SCHEMBL13708540 1.00 MAPK14 (0.39) MAPK14MAPK10PRKCICAMK2DIRAK4
SCHEMBL4100543 1.00 MAPK14 (0.39) MAPK14MAPK10PRKCICAMK2DIRAK4
SCHEMBL13708546 0.90 IRAK4 (0.36) MAPK10CAMK2DIRAK4
SCHEMBL4098870 0.90 IRAK4 (0.36) MAPK10CAMK2DIRAK4
SCHEMBL4098864 0.90 IRAK4 (0.36) MAPK10CAMK2DIRAK4
SCHEMBL4084334 0.86 MAPK14 (0.39) MAPK14MAPK10CAMK2DEGFRRAF1
SCHEMBL13708543 0.86 MAPK14 (0.39) MAPK14MAPK10CAMK2DEGFRRAF1
SCHEMBL4084331 0.86 MAPK14 (0.39) MAPK14MAPK10CAMK2DEGFRRAF1
SCHEMBL4084158 0.86 IRAK4 (0.42) MAPK14MAPK10PRKCICAMK2DIRAK4
SCHEMBL4094745 0.86 IRAK4 (0.42) MAPK14MAPK10PRKCICAMK2DIRAK4

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 MAPK14 1220/4885MAPK10 1004/4885PRKCI 22/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885MAPK10 935/4885PRKCI 25/4885

“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.