SCHEMBL19040106

SCHEMBL19040106

N[C@H]1CC[C@@H](C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 14/20 0.73
▸ CDK2 P24941 8/20 0.61
▸ CCNT1 O60563 7/20 0.61
▸ CDK9 P50750 7/20 0.61
▸ CCNK O75909 6/20 0.61
▸ CDK12 Q9NYV4 6/20 0.61
▸ CCNH P51946 5/20 0.61
▸ CCNE1 P24864 3/20 0.61
▸ CRBN Q96SW2 1/20 0.61
▸ MNAT1 P51948 3/20 0.59
▸ JUN P05412 5/20 0.58
▸ MAPK8 P45983 5/20 0.58
▸ MAPK9 P45984 5/20 0.58
▸ MAPK10 P53779 3/20 0.58
▸ CDK13 Q14004 1/20 0.57

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
SCHEMBL20994624 1.00 CDK7 (0.73) CDK7CDK2CCNT1CDK9CCNK
Hydrochloric Acid SCHEMBL19024420 0.99 CDK7 (0.72) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL19040115 0.97 CDK7 (0.71) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL19040117 0.97 CDK7 (0.71) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL19040091 0.93 CDK7 (0.75) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL17150568 0.92 CDK7 (0.71) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL19054665 0.91 CDK7 (0.72) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL17150609 0.91 CDK7 (0.72) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL20416421 0.91 CDK7 (0.72) CDK7CDK2CCNT1CDK9CCNK
SCHEMBL20412344 0.91 CDK7 (0.72) CDK7CDK2CCNT1CDK9CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US 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 (2 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK2 7/4885CCNT1 34/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CDK2 7/4885CCNT1 34/4885

“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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