SCHEMBL17022831

SCHEMBL17022831

Cc1ccc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)cc1NC(=O)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 4/20 0.47
▸ CCNH P51946 4/20 0.47
▸ EGFR P00533 5/20 0.46
▸ HDAC1 Q13547 4/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ HTR6 P50406 5/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ BCR P11274 1/20 0.42
▸ ALK Q9UM73 1/20 0.40

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
SCHEMBL15648531 0.90 CDK7 (0.44) CDK7CCNHHDAC1JAK1BRD4
SCHEMBL15649053 0.89 CDK7 (0.55) CDK7CCNHEGFRHDAC1JAK1
SCHEMBL29613463 0.89 CDK7 (0.55) CDK7CCNHEGFRHDAC1JAK1
SCHEMBL15648207 0.83 EGFR (0.49) CDK7CCNHEGFRHDAC1JAK1
SCHEMBL17141301 0.82 CDK7 (0.52) CDK7CCNHEGFRHDAC1JAK1
SCHEMBL17141040 0.82 CDK7 (0.48) CDK7CCNHEGFRHTR6DRD2
SCHEMBL29613438 0.81 EGFR (0.51) CDK7CCNHEGFRHTR6DRD2
SCHEMBL16665592 0.81 EGFR (0.51) CDK7CCNHEGFRHTR6DRD2
SCHEMBL29129122 0.80 CDK7 (0.57) CDK7CCNHEGFRHDAC1JAK1
SCHEMBL29613456 0.80 CDK7 (0.57) CDK7CCNHEGFRHDAC1JAK1

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 5 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-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

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 CDK7 1/4885CCNH 32/4885EGFR 1051/4885
US-20160122323-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885EGFR 1051/4885
US-10112927-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885EGFR 1051/4885
US-10787436-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK9, CDK6 CDK7 1/4885CCNH 32/4885EGFR 1051/4885

“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.

Send feedback