SCHEMBL18148261

SCHEMBL18148261

O=C(Nc1ccncc1)c1cccc(-n2cc(NC(=O)n3cc4ccccc4c3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 16/20 0.55
MAPK8 P45983 15/20 0.55
MAPK14 Q16539 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK9 P45984 3/20 0.52
NAMPT P43490 1/20 0.52
EGFR P00533 1/20 0.51
FGFR1 P11362 1/20 0.51
KDR P35968 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 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
SCHEMBL18148263 0.85 NAMPT (0.73) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL16799599 0.76 NAMPT (0.53) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL16799980 0.75 MAPK10 (0.64) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL4293257 0.73 EGFR (0.70) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL2129797 0.73 EGFR (0.64) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL16802693 0.73 MAPK10 (0.67) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL4968277 0.72 NAMPT (0.61) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL16799798 0.71 MAPK10 (0.76) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL16799979 0.71 MAPK10 (0.64) MAPK10MAPK8MAPK14MAPK13MAPK12
SCHEMBL4966637 0.70 LMNA (0.60) NAMPTEGFRFGFR1KDRNPC1

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 1 patent. 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

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 55/4885MAPK14 38/4885

“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.