Sugi Predict

Sugi Predict / Compounds / SCHEMBL2111900

SCHEMBL2111900

SCHEMBL2111900

COc1cnccc1-c1c[nH]c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)c(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.42
▸ MAP4K1 Q92918 2/20 0.39
▸ DYRK1A Q13627 4/20 0.37
▸ CLK1 P49759 3/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ CDC42BPB Q9Y5S2 2/20 0.35
▸ SIK1 P57059 1/20 0.35
▸ SIK2 Q9H0K1 1/20 0.35
▸ SIK3 Q9Y2K2 1/20 0.35
▸ KIT P10721 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34

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
SCHEMBL2600592 0.93 ABL1 (0.42) ABL1MAP4K1DYRK1ACLK1LRRK2
SCHEMBL2113615 0.91 ABL1 (0.52) ABL1MAP4K1DYRK1ACLK1LRRK2
SCHEMBL2112512 0.86 ABL1 (0.41) ABL1MAP4K1DYRK1ACLK1GPBAR1
SCHEMBL2112212 0.83 MAP4K1 (0.41) ABL1MAP4K1LRRK2ROCK2ROCK1
SCHEMBL2600670 0.83 MAP4K1 (0.42) ABL1MAP4K1LRRK2ROCK2ROCK1
SCHEMBL2600632 0.82 MAP4K1 (0.40) ABL1MAP4K1DYRK1ACLK1LRRK2
SCHEMBL2600653 0.81 MAP4K1 (0.43) ABL1MAP4K1DYRK1ACLK1ROCK2
SCHEMBL2112218 0.81 MAP4K1 (0.39) ABL1MAP4K1DYRK1ACLK1ROCK2
SCHEMBL2600635 0.81 ABL1 (0.53) ABL1MAP4K1DYRK1ACLK1LRRK2
SCHEMBL2112187 0.81 ABL1 (0.53) ABL1MAP4K1DYRK1ACLK1LRRK2

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 16/4885DYRK1A 1590/4885

“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.