SCHEMBL18047277

SCHEMBL18047277

CC(C)(C)Nc1ccc(CN(C(=O)O)[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4n[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.49
▸ CCNT1 O60563 13/20 0.49
▸ CDK9 P50750 13/20 0.49
▸ CCNK O75909 12/20 0.49
▸ CDK12 Q9NYV4 12/20 0.49
▸ CCNH P51946 12/20 0.49
▸ CDK2 P24941 10/20 0.49
▸ MNAT1 P51948 9/20 0.49
▸ CCNE1 P24864 4/20 0.49
▸ CDK1 P06493 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ CDK13 Q14004 4/20 0.44
▸ CCNA2 P20248 3/20 0.44
▸ RPS6KA3 P51812 1/20 0.44
▸ JUN P05412 3/20 0.41
▸ MAPK8 P45983 3/20 0.41
▸ MAPK9 P45984 3/20 0.41
▸ MAPK10 P53779 3/20 0.41
▸ CRBN Q96SW2 1/20 0.41

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
SCHEMBL18047335 0.91 CDK7 (0.51) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL16655238 0.91 CDK7 (0.51) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL18047294 0.86 CDK7 (0.46) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL18047289 0.86 CCNT1 (0.43) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL16665107 0.84 CDK7 (0.48) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL18069836 0.84 CDK7 (0.48) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL23336346 0.83 CDK7 (0.55) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL16665168 0.83 CDK7 (0.55) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL18069831 0.83 CDK7 (0.55) CDK7CCNT1CDK9CCNKCDK12
SCHEMBL18069834 0.82 CDK7 (0.42) CDK7CCNT1CDK9CCNKCDK12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 — — EP disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 — — US disclosed
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 — — US disclosed
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — 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 (3 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-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNT1 45/4885CDK9 16/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNT1 45/4885CDK9 16/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CCNT1 45/4885CDK9 16/4885

“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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