SCHEMBL6315239

SCHEMBL6315239

COc1ccc([C]=NO)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
NNMT P40261 1/20 0.43
ACACB O00763 3/20 0.41
CYP2A6 P11509 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HAO1 Q9UJM8 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL6315235 1.00 GRM5 (0.45) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL3090699 0.75 GRM5 (0.49) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL524681 0.75 GRM5 (0.49) GRM5NNMTACACBCYP2A6PIK3CA
SCHEMBL29531456 0.75 GRM5 (0.49) GRM5NNMTACACBCYP2A6PIK3CA
SCHEMBL29598963 0.75 GRM5 (0.49) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL4032168 0.75 GRM5 (0.49) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL3090390 0.75 GRM5 (0.49) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL17761625 0.73 GRM5 (0.55) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL22031558 0.72 GRM5 (0.54) GRM5NNMTACACBCYP2A6MKNK1
SCHEMBL22031720 0.71 ACACB (0.51) GRM5NNMTACACBMKNK1MKNK2

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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 GRM5 1454/4885NNMT 1785/4885ACACB 1255/4885

“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.