SCHEMBL6316348

SCHEMBL6316348

COc1ccccc1CNC(=O)c1c(-c2ccccn2)noc1N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
ALDH1A1 P00352 7/20 0.50
HPGD P15428 7/20 0.50
KDM4E B2RXH2 2/20 0.50
RCE1 Q9Y256 1/20 0.50
ADORA2A P29274 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.46
HDAC1 Q13547 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6315693 0.89 TAS1R3 (0.50) NPC1ALDH1A1HPGDADORA2APOLB
SCHEMBL6316081 0.82 ALDH1A1 (0.55) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6316303 0.82 ADORA2A (0.61) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6319053 0.82 HPGDS (0.54) NPC1ALDH1A1KDM4EPOLBGAA
SCHEMBL6323905 0.81 NPC1 (0.52) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6315227 0.81 HPGD (0.56) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6315094 0.81 NPC1 (0.56) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6317388 0.81 ADORA2A (0.61) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6315245 0.80 NPC1 (0.57) NPC1ALDH1A1HPGDKDM4ERCE1
SCHEMBL6316743 0.80 NPC1 (0.52) NPC1ALDH1A1HPGDKDM4ERCE1

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 6 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
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 NPC1 3741/4885ALDH1A1 4444/4885HPGD 2923/4885

“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.