SCHEMBL16654788

SCHEMBL16654788

CC1(NC(=O)c2ccc(N)cc2)CCCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.71
▸ CDK2 P24941 10/20 0.64
▸ CCNT1 O60563 4/20 0.64
▸ CCNK O75909 4/20 0.64
▸ CDK9 P50750 4/20 0.64
▸ CDK12 Q9NYV4 4/20 0.64
▸ CCNH P51946 2/20 0.64
▸ MNAT1 P51948 1/20 0.64
▸ JUN P05412 6/20 0.56
▸ MAPK8 P45983 6/20 0.56
▸ MAPK9 P45984 6/20 0.56
▸ MAPK10 P53779 4/20 0.56
▸ CCNE1 P24864 3/20 0.55
▸ CRBN Q96SW2 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
SCHEMBL17688421 1.00 CDK7 (0.71) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL17150653 0.92 CDK2 (0.71) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL23040295 0.91 CDK7 (0.67) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL16654935 0.91 CDK7 (0.67) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL19580252 0.88 CDK7 (0.62) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL23336512 0.88 CDK7 (0.66) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL19600369 0.87 CDK7 (0.54) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL17696320 0.87 CDK7 (0.67) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL16665154 0.87 CDK7 (0.67) CDK7CDK2CCNT1CCNKCDK9
SCHEMBL28349896 0.85 CDK7 (0.75) CDK7CDK2CCNT1CCNKCDK9

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 10 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
CN-105849099-B Polycyclic inhibitors of cyclin dependent kinase 7(CDK7) 达纳-法伯癌症研究所股份有限公司 2020-01-17 — — CN 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
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2016-09-15 — — 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-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 — — WO disclosed
WO-2015058140-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-23 — — WO 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 4/4885CDK2 10/4885CCNT1 45/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CDK2 10/4885CCNT1 45/4885
US-20160264554-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 CDK7 4/4885CDK2 10/4885CCNT1 45/4885

“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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