SCHEMBL4091383

SCHEMBL4091383

CC(C)N1CC2CC1CN2c1nc(-c2ccnc(N[C@@H](C)C3CCCCC3)c2)cc2nccn12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.39
MAP3K12 Q12852 1/20 0.35
SYK P43405 1/20 0.34
PRKD1 Q15139 10/20 0.33
PRKD2 Q9BZL6 6/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
ATR Q13535 1/20 0.31
IDH1 O75874 1/20 0.31

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
SCHEMBL4084115 0.88 MAP3K12 (0.38) MAPK14MAP3K12SYKPRKD1PRKD2
SCHEMBL13708533 0.88 MAP3K12 (0.38) MAPK14MAP3K12SYKPRKD1PRKD2
SCHEMBL4090456 0.85 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4089262 0.85 MAPK14 (0.41) MAPK14MAP3K12MAPK13MAPK12MAPK11
SCHEMBL4089265 0.85 MAPK14 (0.41) MAPK14MAP3K12MAPK13MAPK12MAPK11
SCHEMBL4094684 0.85 MAPK14 (0.41) MAPK14MAP3K12MAPK13MAPK12MAPK11
SCHEMBL13708531 0.85 MAPK14 (0.41) MAPK14MAP3K12MAPK13MAPK12MAPK11
SCHEMBL4089862 0.85 MAPK14 (0.41) MAPK14MAP3K12MAPK13MAPK12MAPK11
SCHEMBL13708532 0.85 MAPK14 (0.41) MAPK14MAP3K12MAPK13MAPK12MAPK11
SCHEMBL4094440 0.85 MAPK14 (0.40) MAPK14PRKD1PRKD2ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US claimed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 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 1220/4885MAP3K12 397/4885SYK 240/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885MAP3K12 285/4885SYK 189/4885

“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.