SCHEMBL16171316

SCHEMBL16171316

CN(C)C/C=C/C(=O)Cc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.77
▸ MAPK9 P45984 5/20 0.77
▸ MAPK10 P53779 5/20 0.77
▸ IRAK1 P51617 1/20 0.77
▸ PDGFRA P16234 8/20 0.57
▸ KIT P10721 3/20 0.57
▸ KDR P35968 2/20 0.57
▸ EGFR P00533 3/20 0.56
▸ ABL1 P00519 9/20 0.55
▸ BCR P11274 8/20 0.55
▸ PDGFRB P09619 5/20 0.55
▸ PRKCA P17252 4/20 0.55
▸ SRC P12931 3/20 0.55
▸ PRKCD Q05655 3/20 0.55
▸ PRKD3 O94806 1/20 0.54
▸ PRKCG P05129 1/20 0.54
▸ PRKCB P05771 1/20 0.54
▸ PRKCH P24723 1/20 0.54
▸ PRKCI P41743 1/20 0.54
▸ PRKCE Q02156 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
SCHEMBL16171315 0.92 MAPK8 (0.80) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL16171321 0.88 EGFR (0.70) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL14979764 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL29406102 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL29403577 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL23924398 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL14979768 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL16171318 0.86 ABL1 (0.61) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL16171320 0.83 ABL1 (0.62) MAPK8MAPK9MAPK10IRAK1PDGFRA
SCHEMBL16171317 0.82 MAPK8 (0.81) 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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