SCHEMBL29509266

SCHEMBL29509266

C[C@@H]1CC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(-c5cnnn5C)ccc34)n2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.43
▸ CDK2 P24941 17/20 0.43
▸ CCNK O75909 17/20 0.43
▸ CDK12 Q9NYV4 17/20 0.43
▸ CCNT1 O60563 14/20 0.43
▸ CDK9 P50750 14/20 0.43
▸ CDK7 P50613 13/20 0.43
▸ CCNH P51946 13/20 0.43
▸ MNAT1 P51948 10/20 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
SCHEMBL29509256 1.00 CCNE1 (0.43) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL21178607 0.89 CCNK (0.48) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL29509097 0.86 CCNK (0.47) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL29509201 0.86 CCNE1 (0.59) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL29509196 0.86 CCNK (0.44) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL29509391 0.86 CCNE1 (0.42) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL21178565 0.86 CCNK (0.48) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL21178418 0.86 CCNK (0.44) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL29509274 0.86 CCNE1 (0.42) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL29509133 0.86 CCNK (0.47) CCNE1CDK2CCNKCDK12CCNT1

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
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2022-09-29 — — US disclosed
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 — — 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 (2 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK CCNE1 48/4885CDK2 10/4885CCNK 3/4885
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CCNE1 48/4885CDK2 10/4885CCNK 3/4885

“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.

Send feedback