SCHEMBL1781601

SCHEMBL1781601

CN1C2CCCC1CC(NC(=O)c1ccc(Nc3ncc4c(n3)n(C3CCCC3)c(=O)n4C)c(F)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 11/20 0.55
TTK P33981 4/20 0.55
CSF1R P07333 2/20 0.55
CCNT1 O60563 6/20 0.50
CDK9 P50750 6/20 0.50
AURKA O14965 3/20 0.50
CDK4 P11802 1/20 0.50
CCND3 P30281 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
BRD4 O60885 1/20 0.49
AURKB Q96GD4 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL1781171 0.91 TTK (0.60) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL1781640 0.80 AURKA (0.69) TTKAURKACDK4CCNA2CDK2
SCHEMBL1781666 0.80 TTK (0.60) PRKDCTTKCSF1RAURKACDK4
SCHEMBL1782435 0.79 TTK (0.58) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL1780868 0.79 PLK1 (0.59) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL1782245 0.79 PLK1 (0.59) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL1782949 0.78 TTK (0.66) PRKDCTTKCSF1RAURKACDK4
SCHEMBL1781289 0.78 TTK (0.68) PRKDCTTKCSF1RAURKACDK4
SCHEMBL1781471 0.78 PRKDC (0.62) PRKDCTTKCSF1RAURKACCNA2
SCHEMBL1781821 0.77 TTK (0.59) PRKDCTTKCSF1RAURKACDK4

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 163/4885TTK 4/4885CSF1R 2103/4885

“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.