SCHEMBL2217811

SCHEMBL2217811

CC(C(N)=O)C(c1ccccc1)c1ccc2[nH]cnc2n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.39
GAA P10253 1/20 0.36
SLC2A1 P11166 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALOX5 P09917 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK2 P24941 1/20 0.33
PARP1 P09874 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
QPCT Q16769 1/20 0.32
HSD11B1 P28845 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAP3K7 O43318 1/20 0.31
MAP3K6 O95382 1/20 0.31
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL2192510 0.82 CTSA (0.39) CTSAGAASLC2A1MAPK14SMN1; SMN2
SCHEMBL2192291 0.74 SLC2A1 (0.48) CTSAGAASLC2A1MAPK14LMNA
SCHEMBL2219082 0.72 MAPK14 (0.38) CTSAGAASLC2A1MAPK14LMNA
SCHEMBL23052844 0.72 ALOX5 (0.55) ALOX5LMNAMAPK1
SCHEMBL20260341 0.72 ALOX5 (0.55) ALOX5LMNAMAPK1
SCHEMBL362440 0.72 ALOX5 (0.55) ALOX5LMNAMAPK1
SCHEMBL2188610 0.71 MAPK14 (0.39) CTSAGAASLC2A1MAPK14LMNA
SCHEMBL14032681 0.70 ALDH1A1 (0.40) CTSAGAAMAPK14LMNAHSD17B10
SCHEMBL10441591 0.67 ALDH1A1 (0.39) CTSAMAPK14CDK2
SCHEMBL1806681 0.65 HSD11B1 (0.44) CTSAGAAMAPK14HSD17B10CDK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 CTSA 4514/4885GAA 2424/4885SLC2A1 2458/4885

“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.