SCHEMBL6315566

SCHEMBL6315566

Nc1onc(-c2ccco2)c1C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.47
MEN1 O00255 1/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SCD5 Q86SK9 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
ADORA2A P29274 5/20 0.46
ADORA1 P30542 5/20 0.46
ADORA3 P0DMS8 4/20 0.46

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 0.92 TACR1 (0.46) MLYCDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6314600 0.89 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL6318943 0.87 ADORA2A (0.60) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6316092 0.85 ADORA2A (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1SCD5
SCHEMBL6317749 0.85 ADORA2A (0.60) MEN1GAAKMT2ATDP1SMN1; SMN2
SCHEMBL6323812 0.85 MLYCD (0.46) MLYCDMEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL6317335 0.85 MLYCD (0.46) MLYCDMEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL6316256 0.85 MEN1 (0.50) MLYCDMEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL6316308 0.84 ALDH1A1 (0.60) MEN1GAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6317734 0.83 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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 MLYCD 1582/4885MEN1 2789/4885PLA2G1B 3212/4885

“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.