SCHEMBL6317634

SCHEMBL6317634

Cc1ccccc1C(=O)Nc1onc(-c2nccs2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
ADORA2A P29274 1/20 0.47
CYP2C19 P33261 1/20 0.47
FLT3 P36888 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
TYK2 P29597 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CSF1R P07333 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL27609788 0.87 CYP3A4 (0.43) CYP3A4ADORA2ACYP2C19FLT3NPC1
SCHEMBL6317525 0.84 NPC1 (0.50) FLT3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6315515 0.84 SMN1; SMN2 (0.47) CYP3A4CYP2C19FLT3NPC1RAB9A
SCHEMBL27610088 0.82 CYP3A4 (0.44) CYP3A4ADORA2ACYP2C19NPC1RAB9A
SCHEMBL6316943 0.81 NPC1 (0.46) FLT3NPC1RAB9ATYK2ALDH1A1
SCHEMBL6316571 0.80 TYK2 (0.53) CYP3A4CYP2C19FLT3NPC1RAB9A
SCHEMBL6322761 0.80 FLT3 (0.45) FLT3NPC1RAB9ATYK2ALDH1A1
SCHEMBL6314886 0.80 MAPT (0.50) ADORA2AFLT3NPC1RAB9AALDH1A1
SCHEMBL6321342 0.79 MGAM (0.39) NPC1RAB9AALDH1A1GAAMAPK1
SCHEMBL6318507 0.79 SMN1; SMN2 (0.48) ADORA2ACYP2C19FLT3NPC1RAB9A

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 CYP3A4 4111/4885ADORA2A 1101/4885CYP2C19 3888/4885

“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.