SCHEMBL4879660

SCHEMBL4879660

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(-c4nc5cnc(N)nc5n(C)c4=O)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.58
▸ BRAF P15056 2/20 0.58
▸ HTT P42858 3/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ KIT P10721 1/20 0.55
▸ NR2C2 P49116 2/20 0.54
▸ HCK P08631 1/20 0.54
▸ MAP3K7 O43318 2/20 0.53
▸ MAP4K2 Q12851 2/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ MAP3K20 Q9NYL2 2/20 0.53
▸ BTK Q06187 1/20 0.53
▸ ABL1 P00519 1/20 0.52
▸ BCR P11274 1/20 0.52
▸ CLK1 P49759 1/20 0.51

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
SCHEMBL4880233 0.95 BRAF (0.64) EGFRBRAFKITABL1BCR
SCHEMBL4869570 0.92 MAPK14 (0.60) EGFRBRAFHTTMAPK1ATM
SCHEMBL14086424 0.90 HTT (0.47) EGFRBRAFHTTMAPK1ATM
SCHEMBL4879698 0.87 BRAF (0.65) EGFRBRAFKITABL1BCR
SCHEMBL14086128 0.85 EGFR (0.52) EGFRBRAFKITABL1BCR
SCHEMBL4878187 0.84 BRAF (0.59) BRAFHCKMAP4K2
SCHEMBL4877719 0.82 RAF1 (0.55) BRAF
SCHEMBL31620779 0.80 MAPK14 (0.62) EGFRBRAFHTTMAPK1ATM
SCHEMBL14086423 0.80 RAF1 (0.47) BRAFHTTHCKMAP4K2BTK
SCHEMBL10071823 0.80 MAPK14 (0.55) EGFRBRAFHTTMAPK1ATM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 — — US claimed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 — — US claimed
CN-101031568-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-09-05 — — CN claimed
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 — — US disclosed
US-7423038-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (A DELAWARE LIMITED LIABILITY CORPORATION) (BM) 2008-09-09 — — US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 — — US disclosed
US-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide IRM LLC (BM) 2008-05-15 — — US disclosed
CN-101031568-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2007-09-05 — — CN disclosed
EP-1765820-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-03-28 — — EP disclosed
WO-2006002367-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-01-05 — — 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 (1 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-20080113986-A1 such as serine/threonine, fusion, and tyrosine kinase receptors as nerve and fibroblast growth factor; abnormal activation of immune and nervous systems; antiproliferative; N-[4-methyl-3-(8-methyl-2-methylamino-7-oxo-7,8-dihydropteridin-6-yl)-phenyl]-3-morpholin-4-yl-5-trifluoromethyl-benzamide LCK, FRK, FYN EGFR 254/4885BRAF 31/4885HTT 3621/4885

“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.

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