SCHEMBL1785037

SCHEMBL1785037

CN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)n(C3CCCC3)c(=O)n4C)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.56
CDK1 P06493 2/20 0.56
BRD4 O60885 12/20 0.55
JAK2 O60674 6/20 0.55
JAK1 P23458 3/20 0.55
BRDT Q58F21 3/20 0.55
BRD2 P25440 2/20 0.55
JAK3 P52333 2/20 0.55
BRD3 Q15059 2/20 0.55
PTK2 Q05397 1/20 0.54
AURKA O14965 1/20 0.53
CCNA2 P20248 1/20 0.53
TTK P33981 1/20 0.53
PLK1 P53350 3/20 0.52
PRKDC P78527 2/20 0.51

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
SCHEMBL1782032 0.86 CDK1 (0.68) CDK2CDK1BRD4JAK2JAK1
SCHEMBL1781616 0.81 PRKDC (0.49) CDK2PTK2AURKACCNA2TTK
SCHEMBL1781640 0.79 AURKA (0.69) CDK2BRD4BRDTPTK2AURKA
SCHEMBL1781666 0.79 TTK (0.60) CDK2BRD4BRDTPTK2AURKA
SCHEMBL1781331 0.76 CDK4 (0.71) CDK2CDK1JAK2JAK1JAK3
SCHEMBL4731427 0.76 PLK1 (0.68) CDK2CDK1BRD4JAK2JAK1
SCHEMBL4515808 0.76 BRD4 (0.82) BRD4BRDTPTK2TTKPLK1
SCHEMBL1675880 0.76 PLK1 (0.86) CDK2CDK1BRD4BRDTPLK1
SCHEMBL1781086 0.76 TTK (0.73) CDK2AURKACCNA2TTKPRKDC
SCHEMBL1781601 0.74 PRKDC (0.55) CDK2BRD4AURKACCNA2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298814-A 2-Anilinopurin-8-ones as TTK/MPS1 inhibitors for the treatment of proliferative diseases ASTRAZENECA AB 2013-09-11 CN disclosed
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 CDK2 134/4885CDK1 31/4885BRD4 3407/4885

“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.