SCHEMBL545877

SCHEMBL545877

CN(C)Cc1occc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCC1 P33527 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
GLA P06280 1/20 0.33
EGFR P00533 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
SCHEMBL2223238 0.79 TP53 (0.54) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL15855878 0.76 L3MBTL1 (0.53) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL27175921 0.75 L3MBTL1 (0.51) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL7823777 0.75 L3MBTL1 (0.51) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL2641107 0.75 L3MBTL1 (0.51) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL11279121 0.75 L3MBTL1 (0.51) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL15592326 0.74 TP53 (0.50) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL11669106 0.74 TP53 (0.62) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL28415213 0.73 L3MBTL1 (0.50) TP53L3MBTL1TDP1POLBSMN1; SMN2
SCHEMBL13402295 0.73 L3MBTL1 (0.50) TP53L3MBTL1TDP1POLBSMN1; SMN2

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-8778936-B2 Pyrazole compounds that modulate the activity of CDK, GSK and aurora kinases ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8399442-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-03-19 US disclosed
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-07-26 US disclosed
US-8110573-B2 Enzyme inhibitors; Cyclin-Dependent Kinases (CDK), Glycogen Synthase Kinases (GSK); -cyclopropyl-3-[3-(5-morpholin-4-ylmethyl-1H-benzoimidazol-2-yl)-1H-pyrazol-4-yl]-urea salt for example; anticancer agents ASTEX THERAPEUTICS LIMITED (GB) 2012-02-07 US disclosed
EP-2395000-A1 Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases Astex Therapeutics Limited (GB) 2011-12-14 EP disclosed
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 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 (2 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET TP53 275/4885L3MBTL1 1345/4885TDP1 959/4885
US-20120190673-A1 PYRAZOLE COMPOUNDS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK3, CDK1, AURKA TP53 252/4885L3MBTL1 2376/4885TDP1 319/4885

“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.