SCHEMBL16665173

SCHEMBL16665173

Cc1[nH]c2ccccc2c1-c1nc(NC2CCC[C@H](NC(=O)c3ccc(N)cc3)C2)ncc1Cl

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.75
▸ CCNT1 O60563 5/20 0.61
▸ CDK9 P50750 5/20 0.61
▸ CCNH P51946 5/20 0.61
▸ CCNK O75909 4/20 0.61
▸ CDK12 Q9NYV4 4/20 0.61
▸ MNAT1 P51948 4/20 0.61
▸ CDK13 Q14004 1/20 0.45
▸ MAPK8 P45983 6/20 0.45
▸ MAPK9 P45984 6/20 0.45
▸ MAPK10 P53779 4/20 0.45
▸ JUN P05412 5/20 0.44
▸ CDK2 P24941 5/20 0.44

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
SCHEMBL16665176 1.00 CDK7 (0.75) CDK7CCNT1CDK9CCNHCCNK
Hydrochloric Acid SCHEMBL18047324 0.99 CDK7 (0.74) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL18047328 0.91 CDK7 (0.65) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL28882404 0.90 CDK7 (0.62) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL18047310 0.88 CDK7 (0.63) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL16665180 0.88 CDK7 (0.63) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL19605659 0.86 CDK7 (0.60) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL17696325 0.86 CDK7 (0.60) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL17688401 0.86 CDK7 (0.57) CDK7CCNT1CDK9CCNHCCNK
SCHEMBL22778392 0.86 CDK7 (1.00) CDK7CCNT1CDK9CCNHCCNK

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-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
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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