SCHEMBL16654671

SCHEMBL16654671

CN(Cc1ccc(NC(=O)O)cc1)[C@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.63
▸ CDK9 P50750 12/20 0.63
▸ CCNH P51946 12/20 0.63
▸ CCNT1 O60563 11/20 0.63
▸ CCNK O75909 10/20 0.63
▸ CDK12 Q9NYV4 10/20 0.63
▸ MNAT1 P51948 9/20 0.63
▸ CDK2 P24941 9/20 0.63
▸ CDK13 Q14004 8/20 0.63
▸ CCNA2 P20248 5/20 0.63
▸ RPS6KA3 P51812 1/20 0.63
▸ MAPK8 P45983 5/20 0.57
▸ MAPK9 P45984 5/20 0.57
▸ JUN P05412 4/20 0.57
▸ MAPK10 P53779 4/20 0.57
▸ CDK3 Q00526 1/20 0.55

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
SCHEMBL16654816 0.92 CDK7 (0.74) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL16665164 0.91 CDK7 (0.63) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL16665156 0.90 CDK7 (0.58) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL17696391 0.88 CDK7 (0.66) CDK7CDK9CCNHCCNT1CCNK
Hydrochloric Acid SCHEMBL18047323 0.88 CDK7 (0.65) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL18047352 0.84 CDK7 (0.78) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL18047354 0.84 CDK7 (0.78) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL17141080 0.82 CDK7 (0.57) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL20536792 0.81 CDK7 (0.78) CDK7CDK9CCNHCCNT1CCNK
SCHEMBL17151944 0.81 CDK7 (0.78) CDK7CDK9CCNHCCNT1CCNK

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 6 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-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — US disclosed
EP-3057956-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana-Farber Cancer Institute, Inc. (US) 2016-08-24 — — EP disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO 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 4/4885CDK9 16/4885CCNH 42/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CDK9 16/4885CCNH 42/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK9 3/4885CCNH 32/4885

“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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