SCHEMBL6318656

SCHEMBL6318656

O=C(Nc1ccccc1)Nc1onc(-c2ccccn2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ADORA3 P0DMS8 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
PIM1 P11309 2/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
FLT3 P36888 1/20 0.50
PIM3 Q86V86 1/20 0.50
AURKB Q96GD4 1/20 0.50
CNR1 P21554 1/20 0.45
KDR P35968 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
TP53 P04637 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL6317670 0.91 TSHR (0.54) NPC1RAB9ATAAR1TSHRHTT
SCHEMBL6324765 0.84 TP53 (0.50) NPC1RAB9AADORA3SMN1; SMN2ADORA2A
SCHEMBL6316442 0.84 GABRA5 (0.45) ADORA3SMN1; SMN2HTTKMT2APKM
SCHEMBL6316237 0.83 HPGDS (0.47) NPC1RAB9AKDRTP53CLK4
SCHEMBL6323422 0.82 HTT (0.46) NPC1RAB9AADORA3SMN1; SMN2PIM1
Butyramide SCHEMBL6617651 0.82 TSHR (0.45) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL6324647 0.81 ADORA1 (0.41) NPC1RAB9AADORA1TP53LMNA
SCHEMBL6323194 0.81 CA2 (0.53) SMN1; SMN2TP53HTTSIRT1
SCHEMBL6316894 0.80 MAPK14 (0.53) NPC1RAB9AEPHX2MEN1KMT2A
SCHEMBL6324589 0.79 EDNRA (0.48)

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 3 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

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 3741/4885RAB9A 1754/4885ADORA3 1471/4885

“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.