SCHEMBL4097400

SCHEMBL4097400

COc1ccc([C@H](C)Nc2cc(-c3cc4nccn4c(N4CC5CC4CN5C(C)C)n3)ccn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K2 Q12851 2/20 0.34
MAP3K12 Q12852 1/20 0.34
SYK P43405 1/20 0.34
PFKFB3 Q16875 1/20 0.33
MAPK14 Q16539 5/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
FDPS P14324 1/20 0.33
IDH1 O75874 3/20 0.32
MAPK10 P53779 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL4090456 0.91 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4094684 0.90 MAPK14 (0.41) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4089862 0.90 MAPK14 (0.41) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL13708532 0.90 MAPK14 (0.41) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4089265 0.90 MAPK14 (0.41) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL4089262 0.90 MAPK14 (0.41) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL13708531 0.90 MAPK14 (0.41) MAP3K12MAPK14MAPK13MAPK12MAPK11
SCHEMBL13708533 0.87 MAP3K12 (0.38) MAP3K12SYKMAPK14
SCHEMBL4084115 0.87 MAP3K12 (0.38) MAP3K12SYKMAPK14
SCHEMBL4094813 0.83 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11MAPK10

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-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 MAP4K2 251/4885MAP3K12 397/4885SYK 240/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAP4K2 253/4885MAP3K12 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.