SCHEMBL2173790

SCHEMBL2173790

CC(C)(C)N(C(=O)O)C1(c2ccc(Nc3nc(-c4ccccc4)ccc3[N+](=O)[O-])cc2)COC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.36
GSK3A P49840 3/20 0.36
AURKA O14965 2/20 0.36
PIN1 Q13526 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MCL1 Q07820 1/20 0.33
PTK2B Q14289 1/20 0.33
ABCG2 Q9UNQ0 4/20 0.33
ABCC1 P33527 1/20 0.33
ABCB1 P08183 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MYC P01106 2/20 0.33
PLK1 P53350 1/20 0.33

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
SCHEMBL2173784 1.00 GSK3B (0.36) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL17093395 0.90 GSK3B (0.37) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL17093393 0.90 GSK3B (0.37) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL2175590 0.86 MAPT (0.42) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL2175600 0.86 MAPT (0.42) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL13570480 0.80 GSK3B (0.39) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL13570481 0.80 GSK3B (0.39) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL2175650 0.77 RAB9A (0.37) KMT2AMEN1CYP3A4MAPTCYP2C9
SCHEMBL2174279 0.76 MAPT (0.43) GSK3BGSK3AAURKAPIN1KMT2A
SCHEMBL2189170 0.76 MAPT (0.43) GSK3BGSK3AAURKAPIN1KMT2A

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 2 patents. 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
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 GSK3B 2174/4885GSK3A 2135/4885AURKA 79/4885

“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.