SCHEMBL6315873

SCHEMBL6315873

COc1ccc(-c2noc(N)c2C(=O)NCc2cccc3ccccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.46
ADORA2A P29274 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA1 P30542 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
GABRA1 P14867 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6323905 0.88 NPC1 (0.52) ADORA2AMAPTADORA1NPC1ALDH1A1
SCHEMBL6324368 0.88 MAPT (0.44) MAPTCDK2GSK3BGABRA1NPC1
SCHEMBL6315275 0.87 NPC1 (0.48) CYP1A2CYP3A4MAPTCYP2C19GABRA1
SCHEMBL6317197 0.87 LMNA (0.44) MAPTCDK2GSK3BGABRA1NPC1
SCHEMBL6317699 0.87 ALDH1A1 (0.45) MAPTCDK2GSK3BGABRA1NPC1
SCHEMBL6324039 0.87 ALDH1A1 (0.52) MAPTCDK2GSK3BGABRA1ALDH1A1
SCHEMBL6324450 0.85 NTRK1 (0.45) CYP1A2CYP2D6CYP2C19GABRA1NPC1
SCHEMBL6316080 0.83 ALDH1A1 (0.48) ADORA2AMAPTCDK2GSK3BGABRA1
SCHEMBL6323609 0.83 ADORA2A (0.48) ADORA2ACDK2GSK3BGABRA1ALDH1A1
SCHEMBL6323365 0.82 CDK2 (0.47) MAPTCDK2GSK3BGABRA1ALDH1A1

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 BACE1 895/4885ADORA2A 1101/4885CYP1A2 4402/4885

“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.