SCHEMBL6324647

SCHEMBL6324647

CCCC(=O)Nc1onc(-c2ccccn2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
GABRA5 P31644 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
THRB P10828 1/20 0.41
MAPK14 Q16539 2/20 0.41
HSP90AA1 P07900 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL6315406 0.89 RAB9A (0.41) RAB9ANPC1TP53ALDH1A1KDM4E
SCHEMBL6322628 0.85 HTT (0.45) RAB9ANPC1TP53
SCHEMBL6316894 0.84 MAPK14 (0.53) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL6318817 0.83 ADORA1 (0.40) ADORA1ALDH1A1KDM4EMAPK14LMNA
SCHEMBL6318656 0.81 NPC1 (0.50) ADORA1RAB9ANPC1TP53LMNA
SCHEMBL6324765 0.81 TP53 (0.50) ADORA1RAB9ANPC1TP53ALDH1A1
SCHEMBL6316442 0.81 GABRA5 (0.45) GABRA5ALDH1A1KDM4EHPGD
SCHEMBL6316237 0.80 HPGDS (0.47) RAB9ANPC1TP53KDM4E
Butyramide SCHEMBL6617651 0.79 TSHR (0.45) RAB9ANPC1ALDH1A1KDM4ELMNA
SCHEMBL6316907 0.78 EDNRA (0.43) GABRA5KDM4E

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 ADORA1 1592/4885RAB9A 1754/4885NPC1 3741/4885

“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.