Sugi Predict

Sugi Predict / Compounds / SCHEMBL2600628

SCHEMBL2600628

SCHEMBL2600628

CN(C)C(=O)c1cc(-c2cnc3[nH]cc(-c4cccc(F)c4F)c3c2Cl)cnc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 12/20 0.54
▸ CYP3A4 P08684 3/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ EIF2S1 P05198 1/20 0.41
▸ EIF2AK3 Q9NZJ5 1/20 0.41
▸ ABL1 P00519 2/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ CDK1 P06493 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ DCLK1 O15075 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ NTRK1 P04629 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
SCHEMBL2600629 0.93 MAP4K1 (0.55) MAP4K1CYP3A4CNR2EIF2S1EIF2AK3
SCHEMBL2600647 0.88 MAP4K1 (0.55) MAP4K1CYP3A4EIF2S1EIF2AK3ABL1
SCHEMBL2600667 0.88 MAP4K1 (0.58) MAP4K1CYP3A4CNR2EIF2S1EIF2AK3
SCHEMBL2600641 0.86 MAP4K1 (0.55) MAP4K1CYP3A4CNR2EIF2S1EIF2AK3
SCHEMBL2112405 0.85 ABL1 (0.49) MAP4K1CYP3A4ABL1JAK3LRRK2
SCHEMBL2600565 0.84 MAP4K1 (0.61) MAP4K1CYP3A4ABL1JAK3PIK3C3
SCHEMBL2115036 0.83 MAP4K1 (0.51) MAP4K1CYP3A4EIF2S1EIF2AK3ABL1
SCHEMBL2111075 0.83 MAP4K1 (0.52) MAP4K1CYP3A4EIF2S1EIF2AK3ABL1
SCHEMBL2600619 0.83 MAP4K1 (0.52) MAP4K1CYP3A4EIF2S1EIF2AK3ABL1
SCHEMBL2600646 0.83 MAP4K1 (0.52) MAP4K1CYP3A4CNR2EIF2S1EIF2AK3

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 16/4885CYP3A4 1448/4885CNR2 622/4885

“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.