SCHEMBL4095388

SCHEMBL4095388

COC(CNc1cc(-c2ccnc(N[C@@H](C)c3ccccc3)c2)nc(N2C[C@@H]3C[C@H]2CN3C(C)C)n1)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.39
JAK2 O60674 5/20 0.38
JAK3 P52333 5/20 0.38
MAPK14 Q16539 8/20 0.37
HTR7 P34969 2/20 0.36
CAMK2D Q13557 3/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
ERBB2 P04626 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35

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 1.00 MAP3K12 (0.39) MAP3K12JAK2JAK3MAPK14HTR7
SCHEMBL13708542 1.00 MAP3K12 (0.39) MAP3K12JAK2JAK3MAPK14HTR7
SCHEMBL4091109 0.88 MAP3K12 (0.40) MAP3K12JAK2JAK3MAPK14HTR7
SCHEMBL13708562 0.88 MAP3K12 (0.40) MAP3K12JAK2JAK3MAPK14HTR7
SCHEMBL4091116 0.88 MAP3K12 (0.40) MAP3K12JAK2JAK3MAPK14HTR7
SCHEMBL4091114 0.88 MAP3K12 (0.40) MAP3K12JAK2JAK3MAPK14HTR7
SCHEMBL4084911 0.85 MAP3K12 (0.42) MAP3K12
SCHEMBL4091120 0.84 MAP3K12 (0.43) MAP3K12MAPK14CAMK2DEGFRRAF1
SCHEMBL4094680 0.84 CAMK2D (0.45) MAP3K12MAPK14CAMK2DEGFRRAF1
SCHEMBL4094682 0.84 CAMK2D (0.45) MAP3K12MAPK14CAMK2DEGFRRAF1

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 7 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
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 397/4885JAK2 501/4885JAK3 440/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAP3K12 285/4885JAK2 434/4885JAK3 367/4885

“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.