Sugi Predict

Sugi Predict / Compounds / SCHEMBL2114920

SCHEMBL2114920

SCHEMBL2114920

CN(C)C(=O)c1cncc(-c2cnc3[nH]cc(-c4ccc(F)cc4F)c3c2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.49
▸ MAP4K1 Q92918 4/20 0.46
▸ CLK1 P49759 3/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ AXL P30530 2/20 0.39
▸ IGF1R P08069 3/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ CDC42BPB Q9Y5S2 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CLK4 Q9HAZ1 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
SCHEMBL2114124 0.90 ABL1 (0.52) ABL1MAP4K1CLK1DYRK1ACYP3A4
SCHEMBL2112195 0.87 ABL1 (0.60) ABL1MAP4K1CLK1DYRK1AIGF1R
SCHEMBL2112405 0.86 ABL1 (0.49) ABL1MAP4K1DYRK1ACYP3A4AXL
SCHEMBL2115474 0.83 ABL1 (0.54) ABL1MAP4K1CYP3A4IGF1RCTSA
SCHEMBL2114679 0.83 ABL1 (0.53) ABL1MAP4K1CYP3A4AXLIGF1R
SCHEMBL2600532 0.82 ABL1 (0.70) ABL1MAP4K1CLK1DYRK1AIGF1R
SCHEMBL2602517 0.82 ABL1 (0.52) ABL1MAP4K1CYP3A4IGF1RROCK2
SCHEMBL2112402 0.80 ABL1 (0.51) ABL1MAP4K1CYP3A4IGF1RROCK2
SCHEMBL2600649 0.80 MAP4K1 (0.44) ABL1MAP4K1CLK1DYRK1ACYP3A4
SCHEMBL2600552 0.80 ABL1 (0.57) ABL1MAP4K1CLK1DYRK1ACYP3A4

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 6 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-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 ABL1 862/4885MAP4K1 16/4885CLK1 768/4885

“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.