SCHEMBL19605655

SCHEMBL19605655

Cc1cccc2c(-c3nc(N[C@@H]4CCC[C@](C)(N)C4)ncc3C(F)(F)F)n[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.55
▸ CCNK O75909 20/20 0.55
▸ CDK9 P50750 20/20 0.55
▸ CDK12 Q9NYV4 20/20 0.55
▸ CCNE1 P24864 17/20 0.55
▸ CDK2 P24941 17/20 0.55
▸ CDK7 P50613 9/20 0.47
▸ CCNH P51946 9/20 0.47
▸ MNAT1 P51948 6/20 0.47

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
SCHEMBL19600381 0.89 CCNK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17696323 0.88 CCNK (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17688359 0.87 CCNT1 (0.71) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19605656 0.81 CCNK (0.48) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19605661 0.80 CCNT1 (0.45) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19600373 0.79 CDK7 (0.55) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL17150616 0.79 CDK7 (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL19605708 0.78 CCNK (0.47) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25602843 0.77 CCNK (0.68) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839844 0.74 CCNT1 (0.75) CCNT1CCNKCDK9CDK12CCNE1

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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — 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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 33/4885CCNK 6/4885CDK9 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.

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