SCHEMBL6314600

SCHEMBL6314600

Nc1onc(-c2ccco2)c1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
ADORA2A P29274 10/20 0.47
ADORA1 P30542 9/20 0.47
ADORA3 P0DMS8 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADORA2B P29275 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
PTPN7 P35236 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL6321515 0.91 TACR1 (0.46) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6315566 0.89 MLYCD (0.47) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6324991 0.87 ALDH1A1 (0.48) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6316308 0.87 ALDH1A1 (0.60) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6316877 0.86 ADORA2A (0.57) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6315718 0.83 ALDH1A1 (0.64) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6317734 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6322234 0.82 SCD5 (0.46) SMN1; SMN2ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL6317613 0.82 LSS (0.42) SMN1; SMN2ADORA2AADORA1MAPTKMT2A
SCHEMBL6321786 0.82 CA1 (0.51) SMN1; SMN2ALDH1A1MAPTKMT2AHTT

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 SMN1; SMN2 2766/4885ADORA2A 1101/4885ADORA1 1592/4885

“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.