SCHEMBL4084911

SCHEMBL4084911

COC(CNc1cc(-c2ccnc(Cl)c2)nc(N2CC3CC2CN3C(C)C)n1)OC

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 3/20 0.42
SYK P43405 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
BACE1 P56817 1/20 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
SCHEMBL4095390 0.85 MAP3K12 (0.39) MAP3K12
SCHEMBL4095388 0.85 MAP3K12 (0.39) MAP3K12
SCHEMBL13708542 0.85 MAP3K12 (0.39) MAP3K12
SCHEMBL4084275 0.80 MAP3K12 (0.48) MAP3K12SYKAAK1
SCHEMBL4103073 0.79 MAP3K12 (0.37) MAP3K12HRH4AAK1
SCHEMBL4091379 0.72 PTGDR (0.38) HRH4AAK1
SCHEMBL4091116 0.71 MAP3K12 (0.40) MAP3K12
SCHEMBL4091114 0.71 MAP3K12 (0.40) MAP3K12
SCHEMBL13708562 0.71 MAP3K12 (0.40) MAP3K12
SCHEMBL4091109 0.71 MAP3K12 (0.40) MAP3K12

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-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 MAP3K12 397/4885SYK 240/4885HRH4 738/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAP3K12 285/4885SYK 189/4885HRH4 790/4885

“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.