SCHEMBL6317670

SCHEMBL6317670

O=C(Nc1cccnc1)Nc1onc(-c2ccccn2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NAMPT P43490 2/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GRIK1 P39086 1/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL6318656 0.91 NPC1 (0.50) TSHRRAB9ANPC1PKMMEN1
Butyramide SCHEMBL6617651 0.91 TSHR (0.45) TSHRALDH1A1L3MBTL1KDM4ENAMPT
SCHEMBL6323570 0.83 NPC1 (0.47) TSHRALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL6324765 0.78 TP53 (0.50) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL6316663 0.78 ALDH1A1 (0.49) TSHRALDH1A1L3MBTL1KDM4ERAB9A
SCHEMBL6316442 0.78 GABRA5 (0.45) ALDH1A1L3MBTL1KDM4EPKMKMT2A
SCHEMBL6316237 0.77 HPGDS (0.47) KDM4ERAB9ANPC1HTT
SCHEMBL6324647 0.76 ADORA1 (0.41) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL6323422 0.74 HTT (0.46) ALDH1A1L3MBTL1NAMPTRAB9ANPC1
SCHEMBL6316894 0.74 MAPK14 (0.53) ALDH1A1KDM4ERAB9ANPC1MEN1

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 TSHR 3971/4885ALDH1A1 4444/4885L3MBTL1 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.