SCHEMBL2600629

SCHEMBL2600629

CN(C)C(=O)c1cc(-c2cnc3[nH]cc(-c4ccccc4F)c3c2Cl)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.55
EIF2S1 P05198 1/20 0.42
EIF2AK3 Q9NZJ5 1/20 0.42
JAK3 P52333 3/20 0.41
CYP3A4 P08684 2/20 0.41
ABL1 P00519 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
CNR2 P34972 1/20 0.40
ATR Q13535 1/20 0.38
MET P08581 1/20 0.38
GRIN2B Q13224 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
JAK2 O60674 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL2600628 0.93 MAP4K1 (0.54) MAP4K1EIF2S1EIF2AK3JAK3CYP3A4
SCHEMBL2600647 0.91 MAP4K1 (0.55) MAP4K1EIF2S1EIF2AK3CYP3A4ABL1
SCHEMBL2600565 0.88 MAP4K1 (0.61) MAP4K1JAK3CYP3A4ABL1PIK3C3
SCHEMBL2600641 0.87 MAP4K1 (0.55) MAP4K1EIF2S1EIF2AK3CYP3A4ABL1
SCHEMBL2600667 0.87 MAP4K1 (0.58) MAP4K1EIF2S1EIF2AK3JAK3CYP3A4
SCHEMBL2115036 0.85 MAP4K1 (0.51) MAP4K1EIF2S1EIF2AK3JAK3CYP3A4
SCHEMBL2600671 0.85 MAP4K1 (0.43) MAP4K1EIF2S1EIF2AK3JAK3CYP3A4
SCHEMBL2111075 0.84 MAP4K1 (0.52) MAP4K1EIF2S1EIF2AK3JAK3CYP3A4
SCHEMBL2600619 0.84 MAP4K1 (0.52) MAP4K1EIF2S1EIF2AK3JAK3CYP3A4
SCHEMBL2600646 0.84 MAP4K1 (0.52) MAP4K1EIF2S1EIF2AK3CYP3A4ABL1

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 5 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-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
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 WO 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 16/4885EIF2S1 4437/4885EIF2AK3 3031/4885

“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.