SCHEMBL6315693

SCHEMBL6315693

COc1ccc(CNC(=O)c2c(-c3ccccn3)noc2N)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 3/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK8 P45983 1/20 0.44
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL6316348 0.89 NPC1 (0.54) ALDH1A1HPGDHTTGAAKMT2A
SCHEMBL6321261 0.85 MAPT (0.49) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6316978 0.84 TAS1R3 (0.52) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6316658 0.83 TAS1R3 (0.53) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6318244 0.83 NPSR1 (0.47) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6322403 0.82 TAS1R3 (0.51) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6316680 0.81 MAPT (0.56) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6316567 0.81 ALDH1A1 (0.49) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6316072 0.80 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1TSHRNPSR1
SCHEMBL6324493 0.80 ADORA2A (0.49) TAS1R3TAS1R1ALDH1A1TSHRNPSR1

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 4 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
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 4258/4885ALDH1A1 4444/4885

“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.