SCHEMBL6317779

SCHEMBL6317779

NC(=O)c1c(-c2ccccn2)noc1NC(=O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
ADORA2A P29274 2/20 0.49
ADORA2B P29275 2/20 0.49
ADORA1 P30542 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
ABL1 P00519 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.41
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.40
GRM5 P41594 1/20 0.39
RET P07949 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 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
SCHEMBL6315987 0.81 NPC1 (0.47) RAB9ANPC1ADORA2AADORA1SMN1; SMN2
SCHEMBL6318281 0.79 ADORA2B (0.51) ADORA2AADORA2BADORA1ABL1ADORA3
SCHEMBL6316499 0.78 ADORA2B (0.52) ADORA2AADORA2BSMN1; SMN2ABL1ALDH1A1
SCHEMBL6315406 0.78 RAB9A (0.41) RAB9ANPC1LMNAALDH1A1TP53
SCHEMBL6317017 0.77 KDM4E (0.52) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL6318219 0.77 EDNRA (0.42) ALDH1A1ADORA3PKMGRM5RET
SCHEMBL6316069 0.77 GRM1 (0.50) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL6316620 0.77 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1PKM
SCHEMBL6317185 0.77 MAPK14 (0.40) LMNAALDH1A1GRM5RETKDM4E
SCHEMBL6316034 0.77 ADORA3 (0.50) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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 RAB9A 1754/4885NPC1 3741/4885ADORA2A 1101/4885

“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.