SCHEMBL20536160

SCHEMBL20536160

CCc1cnc(CN[C@@H]2CCC[C@H](NCc3ccc([N+](=O)[O-])cn3)C2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 12/20 0.49
▸ CCNK O75909 9/20 0.49
▸ CDK12 Q9NYV4 9/20 0.49
▸ CCNH P51946 8/20 0.49
▸ MNAT1 P51948 8/20 0.49
▸ CDK2 P24941 8/20 0.49
▸ CCNT1 O60563 7/20 0.49
▸ CDK9 P50750 7/20 0.49
▸ CCNE1 P24864 5/20 0.49
▸ JUN P05412 4/20 0.38
▸ MAPK8 P45983 4/20 0.38
▸ MAPK9 P45984 4/20 0.38
▸ MAPK10 P53779 4/20 0.38

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
SCHEMBL17150423 0.83 CDK7 (0.59) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17150455 0.79 CDK7 (0.56) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17150680 0.72 CDK7 (0.55) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL19040158 0.72 CDK7 (0.53) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17149761 0.70 CCNK (0.56) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17150727 0.69 CDK7 (0.72) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL19054619 0.68 POLB (0.54) —
SCHEMBL17150456 0.67 CDK7 (0.58) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL17150432 0.67 CDK7 (0.51) CDK7CCNKCDK12CCNHMNAT1
SCHEMBL24839347 0.67 CDK7 (1.00) CDK7CCNKCDK12CCNHMNAT1

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-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 — — 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-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNK 8/4885CDK12 24/4885

“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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