SCHEMBL19732099

SCHEMBL19732099

CN(C)[C@H]1CCN(C(=O)Nc2cc(Oc3ccc(NC(=O)Nc4cc(O)nn4-c4ccc(CO)cc4)c(Cl)c3Cl)ccn2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK12 P53778 10/20 0.42
MAPK14 Q16539 7/20 0.42
GSK3A P49840 10/20 0.40
SRC P12931 10/20 0.40
SYK P43405 8/20 0.40
HCK P08631 5/20 0.40
GSK3B P49841 1/20 0.40
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
DDR2 Q16832 1/20 0.36

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
SCHEMBL19732101 0.94 MAPK12 (0.43) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19732044 0.94 MAPK12 (0.43) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19732046 0.92 SRC (0.47) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL14656381 0.92 MAPK14 (0.52) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL14656383 0.92 MAPK14 (0.52) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19731942 0.91 SRC (0.40) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19389001 0.90 MAPK12 (0.39) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19388998 0.90 MAPK12 (0.39) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19732009 0.88 SRC (0.47) MAPK12MAPK14GSK3ASRCSYK
SCHEMBL19732041 0.88 MAPK14 (0.43) MAPK12MAPK14GSK3ASRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000471-B2 Pyrazole P38 map kinase inhibitors RESPIVERT LIMITED (GB) 2018-06-19 US disclosed
US-20170362208-A1 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2017-12-21 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-20170362208-A1 NOVEL COMPOUNDS ARG1, IL1B, LTB4R MAPK12 3555/4885MAPK14 4207/4885GSK3A 3153/4885
US-10000471-B2 Pyrazole P38 map kinase inhibitors MAPK1, MAP3K1, MAPK3 MAPK12 41/4885MAPK14 31/4885GSK3A 990/4885

“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.