SCHEMBL6324322

SCHEMBL6324322

Nc1onc(-c2coc3ccccc23)c1C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
PSMB5 P28074 1/20 0.42
EPHX2 P34913 8/20 0.41
ATM Q13315 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RORC P51449 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PTGES O14684 1/20 0.37
ROCK2 O75116 1/20 0.37
PPARG P37231 2/20 0.37
CCR1 P32246 1/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK10 P53779 1/20 0.36

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
SCHEMBL6315362 0.87 RXFP1 (0.46) ADORA2AADORA1ROCK2NPC1MEN1
SCHEMBL6321408 0.86 EPHX2 (0.44) EPHX2RORCKMT2A
SCHEMBL6317961 0.85 ALDH1A1 (0.45) NPC1MEN1KMT2A
SCHEMBL6316239 0.85 HPGD (0.44) ADORA2AADORA1NPC1MEN1HPGD
SCHEMBL6319043 0.85 NPC1 (0.46) ADORA2AADORA1NPC1MEN1CYP1A2
SCHEMBL6315709 0.85 CHRNB2 (0.43) ADORA2AADORA1NPC1MEN1KMT2A
SCHEMBL6317666 0.85 TACR1 (0.46)
SCHEMBL6324110 0.84 MAPT (0.50) NPC1CYP1A2CYP2D6HPGDCYP2C19
SCHEMBL6317698 0.83 MLYCD (0.44) CNR2ADORA1CCR1NPC1MEN1
SCHEMBL6316721 0.83 NPC1 (0.55) PSMB5ADORA2AADORA1NPC1MEN1

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 NTRK1 1849/4885PSMB5 948/4885EPHX2 4156/4885

“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.