SCHEMBL16799808

SCHEMBL16799808

Cc1ccc(NC(=O)c2cccc(-n3cc(NC(=O)N4CCc5ccccc54)cn3)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.67
MAPK8 P45983 10/20 0.67
HTR2C P28335 2/20 0.50
NAMPT P43490 2/20 0.50
HTR2B P41595 1/20 0.50
MAPK9 P45984 3/20 0.49
NPC1 O15118 2/20 0.48
NFKB1 P19838 2/20 0.48
RAB9A P51151 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL18148273 0.82 MAPK10 (0.85) MAPK10MAPK8MAPK9
SCHEMBL16802760 0.78 MAPK10 (0.75) MAPK10MAPK8MAPK9
SCHEMBL16802647 0.78 MAPK10 (1.00) MAPK10MAPK8MAPK9
SCHEMBL16802813 0.78 MAPK10 (0.74) MAPK10MAPK8MAPK9
SCHEMBL16802729 0.78 MAPK10 (0.66) MAPK10MAPK8NAMPTMAPK9
SCHEMBL16802816 0.78 MAPK10 (0.74) MAPK10MAPK8MAPK9
SCHEMBL16802818 0.77 MAPK10 (0.85) MAPK10MAPK8MAPK9
SCHEMBL16802814 0.76 MAPK10 (0.72) MAPK10MAPK8MAPK9
SCHEMBL16799975 0.76 MAPK10 (0.74) MAPK10MAPK8MAPK9
SCHEMBL16799590 0.76 MAPK10 (0.71) MAPK10MAPK8MAPK9

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-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 US disclosed
EP-3076789-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS The Scripps Research Institute (US) 2016-10-12 EP disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 WO disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 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 (1 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-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS MAPK3, MAP3K3, MAP3K2 MAPK10 31/4885MAPK8 55/4885HTR2C 2272/4885

“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.