SCHEMBL3586523

SCHEMBL3586523

COc1ccc(Cn2cc(NC(C)=O)c(C(=O)NN)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
SNCA P37840 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CACNA1G O43497 2/20 0.43
CACNA1H O95180 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
AADAT Q8N5Z0 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42

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
SCHEMBL5578223 0.88 CACNA1G (0.47) L3MBTL1SNCASMN1; SMN2CACNA1GCACNA1H
SCHEMBL3580396 0.84 ALDH1A1 (0.48) L3MBTL1SMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL5578162 0.78 MEN1 (0.53) SMN1; SMN2CACNA1GCACNA1HCACNA1INPC1
SCHEMBL3585976 0.78 NPC1 (0.52) L3MBTL1SNCASMN1; SMN2NPC1CA1
SCHEMBL15652306 0.74 KDM4E (0.46) L3MBTL1SNCASMN1; SMN2CACNA1GCACNA1H
SCHEMBL14511672 0.74 BRPF1 (0.46) L3MBTL1SNCASMN1; SMN2CACNA1GCACNA1H
SCHEMBL5578103 0.74 BRPF1 (0.46) L3MBTL1SNCACACNA1GCACNA1HCACNA1I
SCHEMBL899018 0.74 AADAT (0.45) L3MBTL1SNCASMN1; SMN2CACNA1GCACNA1H
SCHEMBL369192 0.73 AADAT (0.44) L3MBTL1SNCASMN1; SMN2CACNA1GCACNA1H
SCHEMBL4100807 0.73 ALDH1A1 (0.49) L3MBTL1SNCASMN1; SMN2CACNA1GCACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 L3MBTL1 2301/4885SNCA 3885/4885SMN1; SMN2 3277/4885

“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.