SCHEMBL6315542

SCHEMBL6315542

Nc1onc(-c2ccco2)c1C(=O)NCc1cccs1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA1 P30542 2/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 10/20 0.49
NPC1 O15118 9/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.48
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL6316732 0.84 RAB9A (0.59) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL6316308 0.83 ALDH1A1 (0.60) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL6324735 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6316877 0.80 ADORA2A (0.57) ADORA2AADORA1ALDH1A1CYP1A2CYP2C19
SCHEMBL6314600 0.80 SMN1; SMN2 (0.48) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL6315049 0.79 ADORA2A (0.59) ADORA2AADORA1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6318531 0.79 ADORA2A (0.59) ADORA2AADORA1ALDH1A1NPC1KMT2A
SCHEMBL6317631 0.79 ADORA2A (0.58) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL6317475 0.79 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1RAB9ANPC1
SCHEMBL6315025 0.79 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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 7 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
CN-1549714-A Aminoisoxazole derivatives active as kinase inhibitors 2004-11-24 CN 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 ADORA2A 1101/4885ADORA1 1592/4885ALDH1A1 4444/4885

“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.