SCHEMBL2600545

SCHEMBL2600545

CCc1c(-c2cncc(C(=O)N(C)C)c2)cnc2[nH]cc(-c3cnccc3OC)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.55
MAP4K1 Q92918 5/20 0.48
CYP3A4 P08684 2/20 0.41
POLQ O75417 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 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
SCHEMBL2600560 0.91 MAP4K1 (0.50) ABL1MAP4K1CYP3A4ROCK2ROCK1
SCHEMBL2600558 0.90 ABL1 (0.68) ABL1MAP4K1CYP3A4CYP1A2CYP2D6
SCHEMBL2600543 0.89 ABL1 (0.54) ABL1MAP4K1CYP3A4POLQCLK1
SCHEMBL2600564 0.88 ABL1 (0.58) ABL1MAP4K1CYP3A4POLQCLK1
SCHEMBL2600556 0.88 ABL1 (0.58) ABL1MAP4K1CYP3A4POLQCLK1
SCHEMBL2600552 0.88 ABL1 (0.57) ABL1MAP4K1CYP3A4POLQCLK1
SCHEMBL2600533 0.85 ABL1 (0.54) ABL1MAP4K1POLQCLK1CLK2
SCHEMBL2600554 0.85 ABL1 (0.54) ABL1MAP4K1CYP3A4POLQCLK1
SCHEMBL2600537 0.83 MAP4K1 (0.37) ABL1MAP4K1CLK1ROCK2ROCK1
SCHEMBL2600524 0.81 ABL1 (0.58) ABL1MAP4K1CYP3A4

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 16/4885CYP3A4 1448/4885

“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.