SCHEMBL20412351

SCHEMBL20412351

Cn1cc(-c2nc(N[C@@H]3CCC[C@H](NC(=O)[C@H]4CC[C@@H](N)C4)C3)ncc2Cl)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 12/20 0.49
▸ CDK2 P24941 8/20 0.48
▸ CCNH P51946 7/20 0.48
▸ CCNT1 O60563 7/20 0.48
▸ CDK9 P50750 7/20 0.48
▸ MNAT1 P51948 6/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CCNK O75909 4/20 0.42
▸ CDK12 Q9NYV4 4/20 0.42
▸ JUN P05412 7/20 0.42
▸ MAPK8 P45983 7/20 0.42
▸ MAPK9 P45984 7/20 0.42
▸ MAPK10 P53779 4/20 0.41
▸ CDK13 Q14004 1/20 0.40

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
SCHEMBL20412349 0.92 CDK7 (0.48) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL19040114 0.89 CDK7 (0.60) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL20412350 0.88 CDK7 (0.46) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL19580261 0.87 CDK7 (0.53) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL19580260 0.87 CDK7 (0.53) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL19600360 0.87 CDK7 (0.56) CDK7CDK2CCNHCCNT1CDK9
Hydrochloric Acid SCHEMBL17688367 0.86 CDK7 (0.55) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL17696392 0.84 CDK7 (0.70) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL17696259 0.83 CDK7 (0.59) CDK7CDK2CCNHCCNT1CDK9
SCHEMBL17688369 0.83 CDK7 (0.49) CDK7CDK2CCNHCCNT1CDK9

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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — 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 (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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK2 7/4885CCNH 31/4885

“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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