SCHEMBL6324312

SCHEMBL6324312

Nc1onc(-c2coc3ccccc23)c1C(=O)NCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
HTR2C P28335 1/20 0.43
KLKB1 P03952 1/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
PTGER4 P35408 2/20 0.41
ADRB2 P07550 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.39
PDE2A O00408 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6321408 0.88 EPHX2 (0.44) MAOBEPHX2PTGER4L3MBTL1KMT2A
SCHEMBL6322618 0.88 MAPT (0.47) L3MBTL1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL6324110 0.86 MAPT (0.50) L3MBTL1KMT2ASMN1; SMN2MAPTCA12
SCHEMBL6317666 0.83 TACR1 (0.46)
SCHEMBL6321578 0.82 S1PR3 (0.41) KMT2AMAPTCA12CA1CA2
SCHEMBL6317698 0.82 MLYCD (0.44) KMT2A
SCHEMBL6324322 0.81 NTRK1 (0.43) EPHX2KMT2A
SCHEMBL6324991 0.81 ALDH1A1 (0.48) HTR2CKLKB1EPHX2NR1H4ADRB2
SCHEMBL6316684 0.80 LMNA (0.46) MAOBKMT2ASMN1; SMN2MAPT
SCHEMBL6315362 0.80 RXFP1 (0.46) KMT2ASMN1; SMN2MAPT

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 8 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-1087953-B1 NITRATE SALTS OF ANTIHYPERTENSIVE MEDICINES NICOX SA (FR) 2004-11-17 EP 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 MAOB 1851/4885HTR2C 3983/4885KLKB1 2369/4885

“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.