SCHEMBL22900829

SCHEMBL22900829

FC(F)(F)c1cnc(NC2CCNCC2)nc1-c1cn[nH]c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.55
▸ CDK12 Q9NYV4 18/20 0.55
▸ CCNT1 O60563 15/20 0.55
▸ CDK9 P50750 15/20 0.55
▸ CCNE1 P24864 13/20 0.55
▸ CDK2 P24941 13/20 0.55
▸ CDK7 P50613 6/20 0.55
▸ CCNH P51946 6/20 0.55
▸ MNAT1 P51948 6/20 0.55
▸ ULK1 O75385 1/20 0.47
▸ CHEK1 O14757 1/20 0.43

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
SCHEMBL31666547 0.87 CCNK (0.71) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31666542 0.87 CCNK (0.71) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22900977 0.81 CCNE1 (0.62) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22900799 0.81 CCNE1 (0.66) CCNT1CDK9CCNE1CDK2CDK7
SCHEMBL22977485 0.79 ULK1 (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22900783 0.78 JAK1 (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29926869 0.78 JAK1 (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22997710 0.76 ULK1 (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22900832 0.76 CCNE1 (0.70) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30496637 0.76 ULK1 (0.55) CCNKCDK12CCNT1CDK9CCNE1

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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2021-01-21 — — 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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK2AP2, CDK4 CCNK 5/4885CDK12 17/4885CCNT1 50/4885

“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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