SCHEMBL2600549

SCHEMBL2600549

CCc1c(-c2cncc(C(O)C(=O)N(C)C)c2)cnc2[nH]cc(-c3cccc4c3OCO4)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.41
CYP3A4 P08684 2/20 0.35
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34
ABL1 P00519 1/20 0.32
TLK2 Q86UE8 1/20 0.32
CNR1 P21554 2/20 0.31
AURKA O14965 1/20 0.31
CDK2 P24941 1/20 0.31
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
KCNA5 P22460 1/20 0.30
EED O75530 1/20 0.30

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
SCHEMBL2600566 0.87 CHEK1 (0.34) CHEK1CHEK2ABL1TLK2CNR1
SCHEMBL2600623 0.82 ABL1 (0.51) MAP4K1ABL1JAK2JAK3
SCHEMBL2600572 0.81 MAP4K1 (0.45) MAP4K1CYP3A4JAK2JAK3
SCHEMBL2600557 0.76 MAP4K1 (0.44) MAP4K1CYP3A4ROCK2ROCK1CDC42BPB
SCHEMBL2600555 0.75 MAP4K1 (0.40) MAP4K1CYP3A4ABL1ROCK1CDC42BPB
SCHEMBL2600612 0.75 ABL1 (0.36) MAP4K1ABL1ROCK2ROCK1CDC42BPB
SCHEMBL2600574 0.74 MAP4K1 (0.41) MAP4K1CHEK1CDK2JAK2JAK3
SCHEMBL2600531 0.73 ABL1 (0.46) MAP4K1ABL1JAK2JAK3
SCHEMBL11968637 0.73 ABL1 (0.53) MAP4K1CYP3A4ABL1CDK2
SCHEMBL2112212 0.73 MAP4K1 (0.41) MAP4K1ABL1ROCK2ROCK1CDC42BPB

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 MAP4K1 16/4885CYP3A4 1448/4885CHEK1 612/4885

“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.