SCHEMBL21562148

SCHEMBL21562148

CC(C)Oc1nc(N)nc2c1ncn2C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.49
▸ CDK2 P24941 6/20 0.49
▸ CCNB1 P14635 5/20 0.49
▸ CCNE1 P24864 5/20 0.49
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.38
▸ HSP90AB1 P08238 2/20 0.38
▸ MAP3K12 Q12852 1/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.36
▸ PIK3CA P42336 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34

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
SCHEMBL12522769 0.82 CDK1 (0.53) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL15887583 0.82 CDK1 (0.47) CDK1CDK2CCNB1CCNE1CCNA2
SCHEMBL22058129 0.81 CDK1 (0.55) CDK1CDK2CCNB1CCNE1CCNA2
SCHEMBL12522765 0.79 CDK1 (0.50) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL16259446 0.79 CDK1 (0.44) CDK1CDK2CCNB1CCNE1CCNA2
SCHEMBL20857246 0.78 CDK1 (0.49) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL22915720 0.77 CDK1 (0.48) CDK1CDK2CCNB1CCNE1ADORA2A
SCHEMBL5929983 0.76 CCNE1 (0.43) CDK1CDK2CCNB1CCNE1HSP90AA1
SCHEMBL14087936 0.76 CDK1 (0.47) CDK1CDK2CCNB1CCNE1CCNA2
SCHEMBL24021902 0.76 CDK1 (0.53) CDK1CDK2CCNB1CCNE1ADORA2A

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-20190345192-A1 COMPOUNDS FOR THE TREATMENT OF CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 — — 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-20190345192-A1 COMPOUNDS FOR THE TREATMENT OF CANCER TP53, MYC, CDC73 CDK1 236/4885CDK2 304/4885CCNB1 254/4885

“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.

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