SCHEMBL1619962

SCHEMBL1619962

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OC(C)C3CNCCO3)c3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.59
MAPK12 P53778 11/20 0.59
HCK P08631 6/20 0.59
TNF P01375 5/20 0.59
SRC P12931 4/20 0.59
BRAF P15056 3/20 0.59
MAPK13 O15264 2/20 0.59
MAPK11 Q15759 2/20 0.59
DDR2 Q16832 2/20 0.59
CIT O14578 1/20 0.59
MUSK O15146 1/20 0.59
MAP3K7 O43318 1/20 0.59
RIPK2 O43353 1/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
CHEK2 O96017 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
RAF1 P04049 1/20 0.59
NTRK1 P04629 1/20 0.59

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
SCHEMBL1619959 0.84 MAPK14 (0.69) MAPK14MAPK12HCKTNFSRC
SCHEMBL295153 0.79 MAPK14 (0.77) MAPK14MAPK12HCKTNFSRC
SCHEMBL29593331 0.79 MAPK14 (0.77) MAPK14MAPK12HCKTNFSRC
SCHEMBL6680086 0.79 MAPK14 (0.72) MAPK14MAPK12HCKTNFSRC
SCHEMBL295776 0.78 MAPK14 (0.70) MAPK14MAPK12HCKTNFSRC
SCHEMBL29593878 0.78 MAPK14 (0.70) MAPK14MAPK12HCKTNFSRC
SCHEMBL2533272 0.77 MAPK14 (0.68) MAPK14MAPK12HCKSRCBRAF
SCHEMBL4601507 0.77 MAPK14 (0.55) MAPK14MAPK12HCKTNFSRC
SCHEMBL6298579 0.77 MAPK14 (0.79) MAPK14MAPK12HCKTNFSRC
SCHEMBL4603200 0.76 MAPK14 (0.55) MAPK14MAPK12HCKTNFSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599466-B1 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS BAYER HEALTHCARE LLC (US) 2010-11-24 EP claimed
EP-1599466-A2 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP claimed
US-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders BAYER HEALTHCARE LLC 2005-02-10 US claimed
WO-2004078746-A2 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO claimed
US-7928227-B2 Diaryl ureas, which release urea compound when administered to patient, for example, 1-(4-chloro-3(trifluoromethyl)phenyl)-3-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)-2-oxo-(1,3,5-perhydrotriazapine); treatment of cancer, inflammation BAYER HEALTHCARE LLC (US) 2011-04-19 US disclosed
EP-1599466-B1 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS BAYER HEALTHCARE LLC (US) 2010-11-24 EP disclosed
EP-1599466-A2 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-11-30 EP disclosed
US-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders BAYER HEALTHCARE LLC 2005-02-10 US disclosed
WO-2004078746-A2 2-OXO-1,3,5-PERHYDROTRIAZAPINE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE, ANGIOGENESIS, AND INFLAMMATRORY DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 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-20050032798-A1 2-Oxo-1,3,5-perhydrotriazapine derivatives useful in the treatment of hyper-proliferative, angiogenesis, and inflammatory disorders HYOU1, HIF1A, HCAR2 MAPK14 2817/4885MAPK12 3514/4885HCK 1231/4885

“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.