SCHEMBL4543301

SCHEMBL4543301

C=C1Oc2cc(-c3ccccc3)c(C(N)=O)c(-c3c[nH]c4ncccc34)c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.48
CDC7 O00311 9/20 0.42
DBF4 Q9UBU7 3/20 0.42
JAK3 P52333 2/20 0.41
CLK4 Q9HAZ1 5/20 0.40
PIM1 P11309 5/20 0.40
GSK3B P49841 5/20 0.40
CDK2 P24941 4/20 0.40
ROCK2 O75116 3/20 0.40
MELK Q14680 3/20 0.40
STK17A Q9UEE5 3/20 0.40
NEK2 P51955 2/20 0.40
DYRK1A Q13627 2/20 0.40
DYRK3 O43781 2/20 0.40
PRKD3 O94806 2/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
NTRK1 P04629 2/20 0.40
LCK P06239 2/20 0.40
FYN P06241 2/20 0.40

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
SCHEMBL4562750 0.82 CAMKK2 (0.46) CAMKK2CDC7DBF4JAK3CLK4
SCHEMBL4562747 0.76 DYRK1A (0.41) CAMKK2CDC7CLK4PIM1GSK3B
SCHEMBL4562749 0.75 CAMKK2 (0.46) CAMKK2CDC7DBF4JAK3CLK4
SCHEMBL4562597 0.72 TGFBR1 (0.48) CAMKK2CDC7DBF4JAK3CLK4
SCHEMBL3740263 0.68 CAMKK2 (0.69) CAMKK2CDC7DBF4JAK3CLK4
SCHEMBL4562746 0.68 DYRK1A (0.41) CAMKK2CDC7JAK3CLK4PIM1
SCHEMBL8939866 0.67 CAMKK2 (0.76) CAMKK2CDC7JAK3CLK4PIM1
SCHEMBL8939859 0.67 CAMKK2 (1.00) CAMKK2CDC7JAK3CLK4PIM1
SCHEMBL4557411 0.66 MAPT (0.42) PIM1CDK2PRKD3ABL1CDK1
SCHEMBL858985 0.66 CAMKK2 (0.70) CAMKK2CDC7DBF4JAK3CLK4

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 CAMKK2 207/4885CDC7 606/4885DBF4 4388/4885

“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.