SCHEMBL4084115

SCHEMBL4084115

CC(C)C(C)Nc1cc(-c2cc3nccn3c(N3C[C@@H]4C[C@H]3CN4C(C)C)n2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.38
SYK P43405 1/20 0.37
MAPK14 Q16539 13/20 0.33
ATR Q13535 1/20 0.33
PRKD1 Q15139 2/20 0.31
PRKD2 Q9BZL6 2/20 0.31
BTK Q06187 2/20 0.30

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
SCHEMBL13708533 1.00 MAP3K12 (0.38) MAP3K12SYKMAPK14ATRPRKD1
SCHEMBL4094684 0.90 MAPK14 (0.41) MAP3K12MAPK14
SCHEMBL4089262 0.90 MAPK14 (0.41) MAP3K12MAPK14
SCHEMBL4089862 0.90 MAPK14 (0.41) MAP3K12MAPK14
SCHEMBL13708532 0.90 MAPK14 (0.41) MAP3K12MAPK14
SCHEMBL13708531 0.90 MAPK14 (0.41) MAP3K12MAPK14
SCHEMBL4089265 0.90 MAPK14 (0.41) MAP3K12MAPK14
SCHEMBL4090456 0.88 MAPK14 (0.40) MAPK14
SCHEMBL4091383 0.88 MAPK14 (0.39) MAP3K12SYKMAPK14ATRPRKD1
SCHEMBL4097400 0.87 MAP4K2 (0.34) MAP3K12SYKMAPK14

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 5 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
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 397/4885SYK 240/4885MAPK14 1220/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAP3K12 285/4885SYK 189/4885MAPK14 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.