SCHEMBL4090793

SCHEMBL4090793

CC(C)N1C[C@@H]2C[C@H]1CN2c1nc(-c2ccnc(N[C@@H](C)c3cccc4ccccc34)c2)cc2ncnn12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.35
SOS1 Q07889 3/20 0.35
IDH1 O75874 5/20 0.33
MAP3K12 Q12852 1/20 0.33
PIK3CB P42338 2/20 0.32
PIK3CA P42336 1/20 0.32
CAMK2D Q13557 3/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
EGFR P00533 1/20 0.31
CASR P41180 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
SCHEMBL4090798 1.00 KRAS (0.35) KRASSOS1IDH1MAP3K12PIK3CB
SCHEMBL13708548 1.00 KRAS (0.35) KRASSOS1IDH1MAP3K12PIK3CB
SCHEMBL4084334 0.89 MAPK14 (0.39) CAMK2DEGFR
SCHEMBL4084331 0.89 MAPK14 (0.39) CAMK2DEGFR
SCHEMBL13708543 0.89 MAPK14 (0.39) CAMK2DEGFR
SCHEMBL13708546 0.87 IRAK4 (0.36) KRASSOS1IDH1PIK3CBPIK3CA
SCHEMBL4098870 0.87 IRAK4 (0.36) KRASSOS1IDH1PIK3CBPIK3CA
SCHEMBL4098864 0.87 IRAK4 (0.36) KRASSOS1IDH1PIK3CBPIK3CA
SCHEMBL4094684 0.77 MAPK14 (0.41) MAP3K12CAMK2DEGFR
SCHEMBL13708532 0.77 MAPK14 (0.41) MAP3K12CAMK2DEGFR

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 KRAS 1479/4885SOS1 538/4885IDH1 3009/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 KRAS 1601/4885SOS1 701/4885IDH1 3185/4885

“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.