SCHEMBL6316072

SCHEMBL6316072

COc1ccc(CNC(=O)c2c(-c3coc4ccccc34)noc2N)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
HTT P42858 4/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 7/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL6316721 0.90 NPC1 (0.55) HTTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6322618 0.87 MAPT (0.47) HTTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6317302 0.85 L3MBTL1 (0.52) HTTTSHRNPSR1MEN1MAPK1
SCHEMBL6316239 0.82 HPGD (0.44) HTTTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6324561 0.81 GAA (0.48) HTTMEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL6322403 0.81 TAS1R3 (0.51) TAS1R3TAS1R1HTTTSHRNPSR1
SCHEMBL6315693 0.80 TAS1R3 (0.50) TAS1R3TAS1R1HTTTSHRNPSR1
SCHEMBL6324110 0.80 MAPT (0.50) TSHRKMT2ASMN1; SMN2MAPTNPC1
SCHEMBL6321261 0.80 MAPT (0.49) TAS1R3TAS1R1HTTTSHRNPSR1
SCHEMBL6315709 0.80 CHRNB2 (0.43) MEN1KMT2ASMN1; SMN2MAPTNPC1

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 7 patents. 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 claimed
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 TAS1R3 4289/4885TAS1R1 4258/4885HTT 2134/4885

“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.