SCHEMBL1782032

SCHEMBL1782032

CC(C)n1c(=O)n(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)nc21

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.68
CDK2 P24941 4/20 0.68
BRD4 O60885 11/20 0.56
JAK2 O60674 6/20 0.56
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 0.53
EGFR P00533 1/20 0.52
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
KCNH2 Q12809 1/20 0.46
PLK1 P53350 1/20 0.46

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
SCHEMBL1785037 0.86 CDK2 (0.56) CDK1CDK2BRD4JAK2JAK1
SCHEMBL4500110 0.81 CDK2 (1.00) CDK1CDK2KCNH2
SCHEMBL1781041 0.78 BRD4 (0.63) BRD4BRDTPTK2AURKAAURKB
SCHEMBL23255773 0.73 WEE1 (0.78) CDK1CDK2BRD4JAK2JAK1
SCHEMBL23256489 0.73 WEE1 (0.83) CDK1CDK2BRD4JAK2JAK1
SCHEMBL20230430 0.71 BRD4 (1.00) BRD4JAK2JAK1BRDTBRD2
SCHEMBL12236309 0.70 CDK1 (0.54) CDK1CDK2BRD4JAK2JAK1
SCHEMBL4731427 0.70 PLK1 (0.68) CDK1CDK2BRD4JAK2JAK1
SCHEMBL1675880 0.70 PLK1 (0.86) CDK1CDK2BRD4BRDTPLK1
SCHEMBL4515808 0.70 BRD4 (0.82) BRD4BRDTPTK2EGFRKCNH2

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 2 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

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 CDK1 31/4885CDK2 134/4885BRD4 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.