SCHEMBL17150648

SCHEMBL17150648

O=C(N[C@H]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1)[C@@H]1CCCNC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.73
▸ CCNK O75909 13/20 0.73
▸ CDK12 Q9NYV4 13/20 0.73
▸ CCNT1 O60563 11/20 0.73
▸ CDK9 P50750 11/20 0.73
▸ CCNE1 P24864 9/20 0.73
▸ CDK2 P24941 9/20 0.73
▸ CCNH P51946 9/20 0.73
▸ CRBN Q96SW2 1/20 0.73
▸ MNAT1 P51948 8/20 0.61

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
SCHEMBL17141261 1.00 CDK7 (0.73) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL20412347 1.00 CDK7 (0.73) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL19054687 1.00 CDK7 (0.73) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL17141265 1.00 CDK7 (0.73) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL17141263 1.00 CDK7 (0.73) CDK7CCNKCDK12CCNT1CDK9
Hydrochloric Acid SCHEMBL19024760 0.99 CDK7 (0.72) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL17150632 0.93 CDK2 (0.73) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL19040091 0.93 CDK7 (0.75) CDK7CCNKCDK12CCNT1CDK9
Hydrochloric Acid SCHEMBL17141278 0.92 CDK2 (0.72) CDK7CCNKCDK12CCNT1CDK9
SCHEMBL19054665 0.92 CDK7 (0.72) CDK7CCNKCDK12CCNT1CDK9

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
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
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — 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 (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 1/4885CCNK 8/4885CDK12 24/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNK 8/4885CDK12 24/4885

“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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