SCHEMBL2600531

SCHEMBL2600531

CCc1c(-c2cncc(C(O)C(C)=O)c2)cnc2[nH]cc(-c3ccccc3OC)c12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
JAK3 P52333 4/20 0.41
JAK2 O60674 3/20 0.41
CTSA P10619 3/20 0.41
LRRK2 Q5S007 4/20 0.39
MAP4K1 Q92918 2/20 0.38
CAMKK2 Q96RR4 1/20 0.37
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
CLK1 P49759 2/20 0.36
DYRK1A Q13627 2/20 0.36

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
SCHEMBL2600623 0.92 ABL1 (0.51) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2600537 0.91 MAP4K1 (0.37) ABL1JAK3JAK2CTSAMAP4K1
SCHEMBL2600574 0.87 MAP4K1 (0.41) JAK3JAK2MAP4K1CAMKK2STK3
SCHEMBL2600558 0.82 ABL1 (0.68) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2600635 0.80 ABL1 (0.53) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2600613 0.80 ABL1 (0.53) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2112187 0.80 ABL1 (0.53) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2600614 0.79 ABL1 (0.52) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2113505 0.79 ABL1 (0.52) ABL1JAK3JAK2CTSALRRK2
SCHEMBL2113615 0.79 ABL1 (0.52) ABL1JAK3JAK2CTSALRRK2

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 862/4885JAK3 90/4885JAK2 52/4885

“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.