SCHEMBL17150692

SCHEMBL17150692

CN(C)C/C=C/C(=O)Nc1ccc(CN(C(=O)OC(C)(C)C)[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)nc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 18/20 0.70
▸ CCNH P51946 18/20 0.70
▸ CDK9 P50750 17/20 0.70
▸ CCNK O75909 16/20 0.70
▸ CCNT1 O60563 16/20 0.70
▸ CDK12 Q9NYV4 15/20 0.70
▸ MNAT1 P51948 12/20 0.70
▸ CDK13 Q14004 13/20 0.69
▸ CDK2 P24941 12/20 0.69
▸ CCNA2 P20248 11/20 0.69
▸ RPS6KA3 P51812 1/20 0.69
▸ CDK3 Q00526 1/20 0.61
▸ EGFR P00533 1/20 0.54

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
SCHEMBL20412368 1.00 CDK7 (0.70) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL16665145 0.93 CDK7 (0.74) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL19024733 0.92 CDK7 (0.75) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL20550001 0.92 CDK7 (0.75) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL19024734 0.92 CDK7 (0.75) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL17151944 0.90 CDK7 (0.78) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL20536792 0.90 CDK7 (0.78) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL17151935 0.90 CDK7 (0.58) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL17151972 0.89 CDK7 (0.54) CDK7CCNHCDK9CCNKCCNT1
SCHEMBL17150705 0.86 CDK7 (0.81) CDK7CCNHCDK9CCNKCCNT1

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-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
WO-2015154038-A1 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 (1 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-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CDK9 3/4885

“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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