SCHEMBL2600547

SCHEMBL2600547

COc1ccncc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)c(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.50
MAP4K1 Q92918 3/20 0.47
IGF1R P08069 7/20 0.45
CYP3A4 P08684 1/20 0.44
TNIK Q9UKE5 1/20 0.43
NEK1 Q96PY6 4/20 0.43
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
POLQ O75417 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL2600552 0.91 ABL1 (0.57) ABL1MAP4K1IGF1RCYP3A4NEK1
SCHEMBL2600562 0.90 ABL1 (0.51) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2600544 0.90 ABL1 (0.51) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2112147 0.90 ABL1 (0.59) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2600560 0.88 MAP4K1 (0.50) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2600548 0.87 ABL1 (0.48) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2600536 0.87 ABL1 (0.48) ABL1MAP4K1IGF1RCYP3A4TNIK
SCHEMBL2600532 0.83 ABL1 (0.70) ABL1MAP4K1IGF1RCLK1DYRK1A
SCHEMBL2600592 0.81 ABL1 (0.42) ABL1MAP4K1NEK1CLK1DYRK1A
SCHEMBL2600556 0.81 ABL1 (0.58) ABL1MAP4K1CYP3A4NEK1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 ABL1 862/4885MAP4K1 16/4885IGF1R 1011/4885

“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.