SCHEMBL6318244

SCHEMBL6318244

COc1ccc(CNC(=O)c2c(-c3nccs3)noc2N)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 5/20 0.43
THRB P10828 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 3/20 0.41

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
SCHEMBL6317559 0.85 NPSR1 (0.47) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6316680 0.84 MAPT (0.56) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6316978 0.83 TAS1R3 (0.52) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6316160 0.83 MAOB (0.46) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6315693 0.83 TAS1R3 (0.50) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6316883 0.81 TSHR (0.48) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6317463 0.80 MAOB (0.46) NPSR1ALDH1A1TSHRPOLBTAS1R3
SCHEMBL6316658 0.80 TAS1R3 (0.53) NPSR1ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6316567 0.80 ALDH1A1 (0.49) NPSR1ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL6324493 0.80 ADORA2A (0.49) NPSR1ALDH1A1TSHRTAS1R3TAS1R1

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 5 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
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 NPSR1 4399/4885ALDH1A1 4444/4885TSHR 3971/4885

“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.