SCHEMBL4562596

SCHEMBL4562596

C=C1Oc2c(cccc2-c2c[nH]c3ncccc23)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.50
IKBKE Q14164 3/20 0.49
TBK1 Q9UHD2 3/20 0.49
PDPK1 O15530 3/20 0.46
CDC7 O00311 4/20 0.44
PIM1 P11309 3/20 0.44
MAP4K4 O95819 2/20 0.44
PRKACA P17612 2/20 0.44
GSK3B P49841 2/20 0.44
HIPK2 Q9H2X6 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CDK2 P24941 2/20 0.44
ROCK2 O75116 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
CDK9 P50750 3/20 0.43
CAMKK2 Q96RR4 2/20 0.43
CDK5 Q00535 2/20 0.43
DYRK1A Q13627 2/20 0.43
DAPK3 O43293 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL4562597 0.82 TGFBR1 (0.48) TGFBR1IKBKETBK1PDPK1CDC7
SCHEMBL4562746 0.82 DYRK1A (0.41) TGFBR1IKBKETBK1PDPK1CDC7
SCHEMBL4562749 0.81 CAMKK2 (0.46) TGFBR1IKBKEPDPK1CDC7PIM1
SCHEMBL4562693 0.80 GSK3B (0.38) PDPK1PIM1GSK3BCDK2CDK9
SCHEMBL4556994 0.79 PTPRC (0.47) PIM1PRKACACDK2KMT2A
SCHEMBL5618155 0.75 TGFBR1 (0.71) TGFBR1IKBKETBK1PDPK1CDC7
SCHEMBL4562747 0.72 DYRK1A (0.41) TGFBR1IKBKETBK1PDPK1CDC7
SCHEMBL4562750 0.71 CAMKK2 (0.46) TGFBR1IKBKEPDPK1CDC7PIM1
SCHEMBL31006144 0.70 TGFBR1 (0.55) TGFBR1IKBKETBK1PDPK1CDC7
SCHEMBL15397129 0.70 IKBKE (0.78) TGFBR1IKBKETBK1PDPK1CDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 TGFBR1 2437/4885IKBKE 400/4885TBK1 350/4885

“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.