SCHEMBL30879817

SCHEMBL30879817

[2H]NC(=O)c1nc(SC)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.51
MAPK13 O15264 5/20 0.51
MAPK12 P53778 5/20 0.51
MAPK11 Q15759 5/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
GSK3B P49841 4/20 0.47
GSK3A P49840 1/20 0.44

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
SCHEMBL18161742 0.85 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL14692513 0.83 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL14692634 0.80 PTGS1 (0.54) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL30879827 0.79 PTGS2 (0.54) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL30879822 0.78 CDC7 (0.38) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL30879823 0.72 PTGS1 (0.35) MAPK14PTGS1PTGS2
SCHEMBL30879808 0.72 HIPK4 (0.45) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL4462830 0.72 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL20376630 0.70 KDM4E (0.47) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL20376337 0.69 PTGS2 (0.58) MAPK14MAPK11PTGS1PTGS2GSK3B

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-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2024-05-02 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-20240139194-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MAPK14 113/4885MAPK13 199/4885MAPK12 293/4885

“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.