SCHEMBL1781420

SCHEMBL1781420

CC(C)n1c(=O)n(C)c2cnc(Cl)nc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.43
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 11/20 0.37
ATR Q13535 4/20 0.37
MAPK14 Q16539 1/20 0.36
GSK3B P49841 2/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 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
SCHEMBL4184831 0.84 HSD17B10 (0.39) HSD17B10HPGDHTTATMATR
SCHEMBL23620552 0.82 HPGD (0.56) ADORA2BHSD17B10HPGDHTTGSK3B
SCHEMBL28722266 0.81 HPGD (0.37) HSD17B10HPGDHTTATMATR
SCHEMBL25057366 0.78 HSD17B10 (0.44) ADORA2BHSD17B10HPGDHTTGSK3B
SCHEMBL30328166 0.74 HPGD (0.38) HSD17B10HPGDHTT
SCHEMBL10006721 0.74 HPGD (0.38) HSD17B10HPGDHTT
SCHEMBL24851745 0.73 HSD17B10 (0.42) ADORA2BHSD17B10HPGDHTTATM
SCHEMBL30162061 0.73 HSD17B10 (0.42) ADORA2BHSD17B10HPGDHTTATM
SCHEMBL29651071 0.72 GSK3B (0.64) HSD17B10HPGDHTTGSK3BPIK3CA
SCHEMBL28821218 0.71 PRKDC (0.43) HSD17B10HPGDHTTPIK3CA

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 ADORA2B 4183/4885HSD17B10 4313/4885HPGD 4223/4885

“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.