SCHEMBL2600543

SCHEMBL2600543

CCc1c(-c2cncc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cc(C)ccc3OC)c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.54
MAP4K1 Q92918 6/20 0.47
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
CYP3A4 P08684 2/20 0.40
LRRK2 Q5S007 3/20 0.39
POLQ O75417 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
CTSA P10619 1/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
KIT P10721 1/20 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
SCHEMBL2600558 0.90 ABL1 (0.68) ABL1MAP4K1CYP3A4LRRK2JAK2
SCHEMBL2600545 0.89 ABL1 (0.55) ABL1MAP4K1HCRTR1HCRTR2CYP3A4
SCHEMBL2600524 0.80 ABL1 (0.58) ABL1MAP4K1CYP3A4LRRK2JAK2
SCHEMBL2600560 0.80 MAP4K1 (0.50) ABL1MAP4K1CYP3A4
SCHEMBL2600534 0.79 ABL1 (0.72) ABL1MAP4K1CYP3A4LRRK2POLQ
SCHEMBL2600564 0.79 ABL1 (0.58) ABL1MAP4K1HCRTR1HCRTR2CYP3A4
SCHEMBL2112195 0.78 ABL1 (0.60) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600535 0.78 ABL1 (0.72) ABL1MAP4K1CYP3A4LRRK2POLQ
SCHEMBL2600556 0.77 ABL1 (0.58) ABL1MAP4K1CYP3A4LRRK2POLQ
SCHEMBL2600532 0.77 ABL1 (0.70) ABL1MAP4K1LRRK2JAK2JAK3

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 16/4885HCRTR1 2733/4885

“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.