SCHEMBL3584455

SCHEMBL3584455

NC(=O)c1[c]ccc(Nc2c[nH]nc2-c2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
ROCK1 Q13464 1/20 0.34
SYK P43405 1/20 0.34
CDC7 O00311 1/20 0.33
TGFBR1 P36897 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
CHEK2 O96017 1/20 0.33
MAPK8 P45983 1/20 0.33
AURKA O14965 1/20 0.33
PIN1 Q13526 1/20 0.33
PKMYT1 Q99640 1/20 0.32

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
SCHEMBL3588644 0.77 NNMT (0.43) JAK1TYK2CHEK2
SCHEMBL3584456 0.70 MEN1 (0.37)
SCHEMBL28637666 0.70 GRM5 (0.44) CDC7TGFBR1CHEK2PIN1
SCHEMBL3579872 0.69 ALDH1A1 (0.47) JAK1TYK2PIN1
SCHEMBL3588187 0.68 AURKA (0.54) AURKA
SCHEMBL23719268 0.66 ADORA3 (0.51) AURKA
SCHEMBL13314770 0.66 NPC1 (0.54)
SCHEMBL3575559 0.66 MEN1 (0.53)
SCHEMBL29074720 0.64 CHEK2 (0.55) ROCK1SYKCDC7TGFBR1CHEK2
SCHEMBL13314750 0.64 NPC1 (0.49) JAK1TYK2

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 3 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
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 CSNK2A2 120/4885CSNK2B 82/4885ROCK1 221/4885

“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.