SCHEMBL2600539

SCHEMBL2600539

COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)c(Br)c12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.70
MAP4K1 Q92918 2/20 0.50
LRRK2 Q5S007 3/20 0.46
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
IGF1R P08069 5/20 0.41
CTSA P10619 1/20 0.40
CAMKK2 Q96RR4 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
POLQ O75417 1/20 0.39

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
SCHEMBL2600535 0.92 ABL1 (0.72) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600541 0.91 ABL1 (0.59) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600534 0.90 ABL1 (0.72) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600532 0.89 ABL1 (0.70) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600558 0.87 ABL1 (0.68) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600530 0.86 ABL1 (0.67) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600570 0.86 ABL1 (0.67) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL2600553 0.83 MAP4K1 (0.71) ABL1MAP4K1LRRK2JAK2JAK3
SCHEMBL1516718 0.83 ABL1 (1.00) ABL1MAP4K1IGF1RCAMKK2CYP3A4
SCHEMBL2110969 0.83 ABL1 (0.59) 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 16/4885LRRK2 1040/4885

“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.