SCHEMBL6316663

SCHEMBL6316663

O=C(Nc1cccnc1)Nc1onc(-c2ccsc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GSK3B P49841 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GRIK1 P39086 1/20 0.41
IDH2 P48735 1/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL6315691 0.89 CNR1 (0.44) ALDH1A1L3MBTL1RAB9ANPC1MEN1
SCHEMBL6317460 0.84 NPC1 (0.45) ALDH1A1KDM4EL3MBTL1CYP1A2RAB9A
SCHEMBL6317670 0.78 TSHR (0.54) ALDH1A1KDM4EL3MBTL1CYP1A2RAB9A
SCHEMBL6316921 0.77 KMT2A (0.37) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL6322968 0.76 KIT (0.47) ALDH1A1KDM4ERAB9ANPC1MEN1
SCHEMBL6323664 0.76 ROCK2 (0.44) ALDH1A1KDM4EGSK3BMAPTLMNA
SCHEMBL6324270 0.74 ADORA1 (0.52) ALDH1A1CYP1A2RAB9ANPC1MEN1
SCHEMBL6318223 0.73 GAA (0.48) ALDH1A1KDM4EL3MBTL1RAB9ANPC1
SCHEMBL6317985 0.73 MAPK14 (0.51) MEN1KMT2ALMNA
SCHEMBL6317994 0.73 KDR (0.52) ALDH1A1RAB9AMEN1KMT2AMAPT

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 ALDH1A1 4444/4885KDM4E 1382/4885L3MBTL1 4176/4885

“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.