SCHEMBL16654840

SCHEMBL16654840

O=C(NC1CCCC(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.53
▸ CCNT1 O60563 6/20 0.45
▸ CDK9 P50750 6/20 0.45
▸ CCNH P51946 6/20 0.45
▸ MNAT1 P51948 6/20 0.45
▸ CCNK O75909 2/20 0.45
▸ CDK12 Q9NYV4 2/20 0.45
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ TNFSF11 O14788 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL17688372 0.90 CDK7 (0.65) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16656080 0.90 CDK7 (0.65) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16655030 0.90 CDK7 (0.41) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17688361 0.90 CDK7 (0.54) CDK7CCNT1CDK9CCNHMNAT1
Hydrochloric Acid SCHEMBL16655196 0.90 CDK7 (0.64) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17688386 0.89 CDK7 (0.55) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19024500 0.88 CDK7 (0.56) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL18047281 0.88 CDK7 (0.46) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL16665595 0.87 CDK7 (0.60) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL21397318 0.87 CDK7 (0.60) CDK7CCNT1CDK9CCNHMNAT1

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 11 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-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-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-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 4/4885CCNT1 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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