SCHEMBL29509197

SCHEMBL29509197

Cc1nc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)ncc4C(F)(F)F)cn(COCC[Si](C)(C)C)c3c2)no1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.46
▸ HDAC6 Q9UBN7 3/20 0.46
▸ CDK7 P50613 7/20 0.40
▸ CCNH P51946 7/20 0.40
▸ MNAT1 P51948 7/20 0.40
▸ CCNT1 O60563 6/20 0.40
▸ CDK9 P50750 6/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ CCNK O75909 9/20 0.38
▸ CDK12 Q9NYV4 8/20 0.38
▸ CDK2 P24941 8/20 0.38
▸ CCNE1 P24864 7/20 0.38
▸ CCNA2 P20248 1/20 0.37
▸ CDK13 Q14004 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL24087348 1.00 HDAC4 (0.46) HDAC4HDAC6CDK7CCNHMNAT1
SCHEMBL21179285 0.93 CDK7 (0.41) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL30439347 0.89 CDK7 (0.43) HDAC4HDAC6CDK7CCNHMNAT1
SCHEMBL25268697 0.89 CDK7 (0.43) HDAC4HDAC6CDK7CCNHMNAT1
SCHEMBL30203949 0.88 CDK7 (0.42) HDAC4HDAC6CDK7CCNHMNAT1
SCHEMBL30204452 0.88 CDK7 (0.42) HDAC4HDAC6CDK7CCNHMNAT1
SCHEMBL24087388 0.87 CCNK (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL29509168 0.87 CCNK (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24087391 0.87 CDK7 (0.40) HDAC4HDAC6CDK7CCNHMNAT1
SCHEMBL29509244 0.87 CDK7 (0.40) HDAC4HDAC6CDK7CCNHMNAT1

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 HDAC4 571/4885HDAC6 955/4885CDK7 1/4885
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK HDAC4 571/4885HDAC6 955/4885CDK7 1/4885

“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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