SCHEMBL15648478

SCHEMBL15648478

Nc1ccc(S(=O)(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.47
▸ CDK5 Q00535 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ MAP3K11 Q16584 1/20 0.46
▸ CCNT1 O60563 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CCNB1 P14635 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ HTR6 P50406 6/20 0.43
▸ DRD2 P14416 4/20 0.43
▸ HTR7 P34969 4/20 0.43
▸ HTR2A P28223 3/20 0.43
▸ HTR1A P08908 2/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41

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
SCHEMBL15647363 0.90 EGFR (0.45) EGFRCDK5CDK5R1MAP3K11CCNT1
SCHEMBL29613438 0.89 EGFR (0.51) EGFRCDK5CDK5R1CCNT1CDK1
SCHEMBL16665592 0.89 EGFR (0.51) EGFRCDK5CDK5R1CCNT1CDK1
SCHEMBL15648288 0.88 CDK1 (0.43) CCNT1CDK1CCNB1CDK2CDK9
SCHEMBL15649053 0.87 CDK7 (0.55) EGFRCDK5CDK5R1MAP3K11CCNT1
SCHEMBL29613463 0.87 CDK7 (0.55) EGFRCDK5CDK5R1MAP3K11CCNT1
SCHEMBL17141040 0.85 CDK7 (0.48) EGFRCDK5CDK5R1MAP3K11CCNT1
SCHEMBL29613470 0.83 EGFR (0.48) EGFRCDK5CDK5R1CCNT1CDK1
SCHEMBL27223018 0.83 EGFR (0.48) EGFRCDK5CDK5R1CCNT1CDK1
SCHEMBL15648207 0.82 EGFR (0.49) EGFRCDK5CDK5R1MAP3K11CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 — — US disclosed
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-29 — — US disclosed
US-20190100511-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-04 — — US disclosed
US-20190100511-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-04 — — US disclosed
US-10112927-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-10-30 — — US disclosed
US-20160122323-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-05-05 — — US disclosed
EP-2909194-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana-Farber Cancer Institute, Inc. (US) 2015-08-26 — — EP disclosed
WO-2014063068-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-04-24 — — 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 (4 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-20190100511-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK9, CDK6 EGFR 1051/4885CDK5 6/4885CDK5R1 33/4885
US-20160122323-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK9, CDK6 EGFR 1051/4885CDK5 6/4885CDK5R1 33/4885
US-10112927-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK9, CDK6 EGFR 1051/4885CDK5 6/4885CDK5R1 33/4885
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK9, CDK6 EGFR 1051/4885CDK5 6/4885CDK5R1 33/4885

“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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