SCHEMBL1781854

SCHEMBL1781854

Cn1c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCS(O)(O)CC4)cc3)ncc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.59
CDK4 P11802 14/20 0.59
CCND1 P24385 13/20 0.59
CCND2 P30279 8/20 0.59
CCND3 P30281 8/20 0.59
CCNE1 P24864 7/20 0.59
CDK2 P24941 7/20 0.59
CCNE2 O96020 6/20 0.59
CCNA2 P20248 6/20 0.59
CCNA1 P78396 5/20 0.59
PKN1 Q16512 2/20 0.59
PAK4 O96013 1/20 0.59
PAK1 Q13153 1/20 0.59
CDK1 P06493 4/20 0.58
CCNB1 P14635 4/20 0.58
CCNB2 O95067 3/20 0.58
CCNB3 Q8WWL7 3/20 0.58
FGFR1 P11362 3/20 0.58
FGFR2 P21802 2/20 0.58
FGFR4 P22455 2/20 0.58

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
SCHEMBL1781852 0.92 CDK4 (0.62) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1781331 0.91 CDK4 (0.71) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1782576 0.90 CDK4 (0.67) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1781620 0.88 CDK4 (0.68) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1780821 0.79 PRKDC (0.63) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1782006 0.79 PRKDC (0.60) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1781375 0.79 PRKDC (0.71) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL3658624 0.78 PRKDC (0.55) PRKDCCDK4CCND1CCND2CCND3
SCHEMBL1781846 0.78 PRKDC (0.62) PRKDCCCNE1CDK2CCNE2CCNA2
SCHEMBL1782186 0.78 PRKDC (0.57) PRKDCCDK4CCND1CCND2CCND3

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 1 patent. 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

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 PRKDC 163/4885CDK4 648/4885CCND1 612/4885

“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.