SCHEMBL6322010

SCHEMBL6322010

CCCCC(=O)Nc1onc(-c2ccc3ccccc3n2)c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 3/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CETP P11597 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
SCHEMBL6316802 0.94 MAP4K4 (0.42) ADORA1ALDH1A1SMN1; SMN2HSD17B10L3MBTL1
SCHEMBL6319257 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6321948 0.85 RAB9A (0.55) ADORA1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6322895 0.84 SMN1; SMN2 (0.42) ADORA1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6318523 0.84 ADORA1 (0.38) ADORA1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6319745 0.82 ADORA1 (0.40) ADORA1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL6316137 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDHSD17B10RAB9A
SCHEMBL6318817 0.82 ADORA1 (0.40) ADORA1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL6315987 0.78 NPC1 (0.47) ADORA1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL6315274 0.76 ADORA2A (0.46) ADORA1ALDH1A1SMN1; SMN2HSD17B10MAPK1

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 ADORA1 1592/4885ALDH1A1 4444/4885SMN1; SMN2 2766/4885

“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.