SCHEMBL3227992

SCHEMBL3227992

NC(=O)c1ccc(-c2ccnc3[nH]cc(C=O)c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.65
PIM1 P11309 3/20 0.65
GSK3B P49841 3/20 0.65
MKNK2 Q9HBH9 3/20 0.65
PIM3 Q86V86 2/20 0.65
PIM2 Q9P1W9 2/20 0.65
CDC7 O00311 2/20 0.65
ROCK2 O75116 2/20 0.65
MAP4K4 O95819 2/20 0.65
PRKACA P17612 2/20 0.65
CDK2 P24941 2/20 0.65
HIPK2 Q9H2X6 2/20 0.65
LRRK2 Q5S007 2/20 0.65
PRKCI P41743 2/20 0.65
PLK4 O00444 1/20 0.65
CHEK1 O14757 1/20 0.65
MAPK13 O15264 1/20 0.65
PDPK1 O15530 1/20 0.65
DAPK3 O43293 1/20 0.65
DYRK3 O43781 1/20 0.65

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
SCHEMBL29953748 0.81 LRRK2 (0.57) MAPK8GSK3BMKNK2CDC7ROCK2
SCHEMBL5805570 0.78 MAPK1 (0.45) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL1429453 0.76 CYP2A6 (0.49) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL857622 0.76 MAP4K4 (0.63) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL856933 0.75 LRRK2 (0.47) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL857225 0.74 CDC7 (0.55) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL857831 0.73 CDC7 (0.57) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL8939859 0.73 CAMKK2 (1.00) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL24764866 0.72 GSK3B (0.52) MAPK8PIM1GSK3BMKNK2PIM3
SCHEMBL29957196 0.72 KMT2A (0.56) MAPK8PIM1GSK3BMKNK2PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
WO-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B MAPK8 269/4885PIM1 120/4885GSK3B 145/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR MAPK8 356/4885PIM1 78/4885GSK3B 87/4885

“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.