SCHEMBL20190907

SCHEMBL20190907

O=C(c1ccc([N+](=O)[O-])cn1)N1CCCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 13/20 0.50
▸ CDK2 P24941 12/20 0.50
▸ CDK7 P50613 12/20 0.50
▸ CCNH P51946 12/20 0.50
▸ CCNT1 O60563 12/20 0.50
▸ MNAT1 P51948 11/20 0.50
▸ CCNK O75909 8/20 0.50
▸ CDK12 Q9NYV4 8/20 0.50
▸ CDK13 Q14004 6/20 0.50
▸ CCNA2 P20248 6/20 0.50
▸ JUN P05412 5/20 0.45
▸ MAPK8 P45983 5/20 0.45
▸ MAPK9 P45984 5/20 0.45
▸ MAPK10 P53779 4/20 0.45
▸ CCNE1 P24864 2/20 0.41
▸ TNFSF11 O14788 2/20 0.41
▸ CDK3 Q00526 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
SCHEMBL20190904 1.00 CDK9 (0.50) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL20191082 0.92 CDK2 (0.50) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL20191083 0.92 CDK2 (0.50) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL18045073 0.92 CDK2 (0.47) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL16664898 0.92 CDK2 (0.47) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL20190845 0.89 CDK2 (0.52) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL20190847 0.89 CDK2 (0.52) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL16664891 0.88 CDK2 (0.48) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL20209229 0.88 CDK2 (0.51) CDK9CDK2CDK7CCNHCCNT1
SCHEMBL23152039 0.86 CDK2 (0.52) CDK9CDK2CDK7CCNHCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932625-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-03-19 — — US disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20220213067-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-07-07 — — US disclosed
EP-3544971-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-07-06 — — EP disclosed
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-19 — — US disclosed
US-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 — — US disclosed
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 — — US disclosed
EP-3544971-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2019-10-02 — — EP disclosed
WO-2018098361-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 — — 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 (6 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-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CDK9 22/4885CDK2 5/4885CDK7 41/4885
US-11932625-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof CDK12, CDK1, CDK13 CDK9 22/4885CDK2 5/4885CDK7 41/4885
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CDK9 22/4885CDK2 5/4885CDK7 41/4885
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof CDK12, CDK1, CDK13 CDK9 22/4885CDK2 5/4885CDK7 41/4885
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CDK9 22/4885CDK2 5/4885CDK7 41/4885
US-20220213067-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CDK9 22/4885CDK2 5/4885CDK7 41/4885

“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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