SCHEMBL16171317

SCHEMBL16171317

CN(C)C/C=C/C(=O)Cc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 18/20 0.81
▸ MAPK9 P45984 18/20 0.81
▸ MAPK10 P53779 4/20 0.81
▸ CDK7 P50613 1/20 0.58
▸ CCNH P51946 1/20 0.58
▸ PIKFYVE Q9Y2I7 2/20 0.57
▸ MAPK14 Q16539 1/20 0.57
▸ IRAK1 P51617 1/20 0.54
▸ SLC2A1 P11166 1/20 0.53

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
SCHEMBL14979763 0.89 MAPK8 (1.00) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL29403524 0.89 MAPK8 (1.00) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL23924257 0.89 MAPK8 (1.00) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL16171333 0.88 MAPK8 (0.66) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL16171316 0.82 MAPK8 (0.77) MAPK8MAPK9MAPK10IRAK1
SCHEMBL14979771 0.79 MAPK8 (0.77) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL23870567 0.78 MAPK8 (0.78) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL3442630 0.77 MAPK8 (0.68) MAPK8MAPK9MAPK10SLC2A1
SCHEMBL3442508 0.76 MAPK8 (0.66) MAPK8MAPK9MAPK10CDK7CCNH
SCHEMBL16171315 0.75 MAPK8 (0.80) MAPK8MAPK9MAPK10IRAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160368910-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 MAPK8 52/4885MAPK9 34/4885MAPK10 44/4885
US-20140309249-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 MAPK8 52/4885MAPK9 34/4885MAPK10 44/4885

“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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