SCHEMBL14979756

SCHEMBL14979756

CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)cc2)c1

nearest known ligand 0.93

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 17/20 0.93
CCNH P51946 16/20 0.93
CDK5 Q00535 4/20 0.93
CDK1 P06493 2/20 0.93
CDK2 P24941 2/20 0.93
CDK9 P50750 2/20 0.93
MNAT1 P51948 2/20 0.93
CDK8 P49336 1/20 0.93
CDK5R1 Q15078 3/20 0.89
MAP3K11 Q16584 2/20 0.89
CDK13 Q14004 2/20 0.89
CDK12 Q9NYV4 2/20 0.89
CCNT1 O60563 1/20 0.89
CCNK O75909 1/20 0.89
CCNB1 P14635 1/20 0.89
CCNA2 P20248 1/20 0.89
MAPK8 P45983 1/20 0.89
MAPK9 P45984 1/20 0.89
EGFR P00533 1/20 0.72

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
SCHEMBL18313531 0.98 CDK7 (0.94) CDK7CCNHCDK5CDK1CDK2
SCHEMBL29355486 0.96 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL30337868 0.96 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL18313553 0.96 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL23682983 0.94 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL14979765 0.94 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL18229934 0.94 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL29355500 0.94 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
SCHEMBL29434968 0.94 CDK7 (1.00) CDK7CCNHCDK5CDK1CDK2
Hydrochloric Acid SCHEMBL29867414 0.94 CDK7 (0.99) CDK7CCNHCDK5CDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-30 US disclosed
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-20 US disclosed
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-19 US disclosed
EP-3569598-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) Dana Farber Cancer Institute, Inc. (US) 2019-11-20 EP disclosed
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-15 US disclosed
EP-2822935-B1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA FARBER CANCER INST INC (US) 2019-05-15 EP disclosed
US-20160368910-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-22 US disclosed
US-20160368910-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-22 US disclosed
US-9382239-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-07-05 US disclosed
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) Dana-Farber Cancer Intitute, Inc. (US) 2014-10-16 US disclosed
WO-2013074986-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-05-23 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 (7 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-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20210300911-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20220153730-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20160368910-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 CDK7 129/4885CCNH 292/4885CDK5 62/4885

“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.