SCHEMBL4699047

SCHEMBL4699047

CC(C)(C)OC(=O)Nc1cc(N)n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
ATR Q13535 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MAPKAPK2 P49137 3/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CDK1 P06493 1/20 0.35
CYP17A1 P05093 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL27934559 0.85 GAA (0.42) MAP4K4CA1CA2KDM4ELMNA
SCHEMBL20672997 0.83 ATR (0.39) ATRCA1CA2KDM4ELMNA
SCHEMBL24035215 0.81 LCK (0.38) ATRCA1CA2KDM4ELMNA
SCHEMBL4697772 0.79 ALDH1A1 (0.36) MAP4K4ATRCA1CA2MAPKAPK2
SCHEMBL4697055 0.77 MAPT (0.38) MAP4K4ATRKDM4ELMNACDK1
SCHEMBL20064692 0.76 KDR (0.57) MAP4K4CDK1CYP17A1EGFRSRC
SCHEMBL4697777 0.76 ATR (0.33) MAP4K4ATRCA1CA2MAPKAPK2
SCHEMBL21641259 0.76 PTPN2 (0.43)
SCHEMBL1554963 0.75 AURKA (0.39) MAP4K4ATRCA1CA2MAPKAPK2
SCHEMBL20064687 0.73 CA12 (0.44) MAP4K4CA1MAPKAPK2KDM4ECDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085575-B2 Tri- and tetracyclic pyrazolo[3,4-B]pyridine compounds as antineoplastic agent PIERRE FABRE MEDICAMENT (FR) 2015-07-21 US disclosed
EP-2697222-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT Pierre Fabre Medicament (FR) 2014-02-19 EP disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 US disclosed
WO-2012140114-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2012-10-18 WO disclosed
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT TPMT, TYMP, PAICS MAP4K4 1910/4885ATR 788/4885CA1 1175/4885
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 MAP4K4 11/4885ATR 737/4885CA1 4771/4885

“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.