SCHEMBL6317475

SCHEMBL6317475

Nc1onc(-c2ccco2)c1C(=O)NCc1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.44
ADORA2A P29274 8/20 0.44
ADORA1 P30542 8/20 0.44
ADORA3 P0DMS8 5/20 0.43
ADORA2B P29275 5/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
P2RX7 Q99572 1/20 0.41
PRNP P04156 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
MCL1 Q07820 2/20 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
SCHEMBL6315049 0.87 ADORA2A (0.59) ALDH1A1KMT2AADORA2AADORA1ADORA3
SCHEMBL6318531 0.87 ADORA2A (0.59) ALDH1A1KMT2AADORA2AADORA1ADORA3
SCHEMBL6317631 0.87 ADORA2A (0.58) ALDH1A1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6318165 0.85 ADORA2A (0.45) ALDH1A1KMT2AADORA2AADORA1ADORA3
SCHEMBL6322234 0.84 SCD5 (0.46) ALDH1A1ADORA2AADORA1ADORA3ADORA2B
SCHEMBL6316303 0.84 ADORA2A (0.61) ALDH1A1KMT2AADORA2AADORA1ADORA3
SCHEMBL6316308 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AADORA2AADORA1ADORA3
SCHEMBL6322551 0.83 CA1 (0.54) ALDH1A1KMT2ANPC1RAB9AP2RX7
SCHEMBL6316546 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AADORA2AADORA1ADORA3
SCHEMBL6316732 0.83 RAB9A (0.59) ALDH1A1KMT2AADORA2AADORA1NPC1

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 ALDH1A1 4444/4885KMT2A 1089/4885ADORA2A 1101/4885

“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.