SCHEMBL6318236

SCHEMBL6318236

NC(=O)c1c(-c2cccnc2)noc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.53
EPHX2 P34913 3/20 0.49
HDAC4 P56524 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
S1PR1 P21453 1/20 0.46
NPC1 O15118 2/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
TNF P01375 1/20 0.44
RAB9A P51151 1/20 0.44
NOD1 Q9Y239 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
TSHR P16473 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
SCHEMBL6315874 0.90 LMNA (0.53) ABL1BCRTRPV1MEN1KMT2A
SCHEMBL6316051 0.89 RAB9A (0.54) NPC1SMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL6315761 0.89 CYP11B1 (0.52) ABL1BCRSMN1; SMN2MAPTRAB9A
SCHEMBL6316594 0.88 ABL1 (0.53) NPC1ABL1RAB9ATRPV1
SCHEMBL6319264 0.88 NPC1 (0.47) NTRK1HDAC4HDAC6NPC1TRPV1
SCHEMBL6316473 0.87 KMT2A (0.53) NPC1SMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL6317627 0.87 NAMPT (0.52) ABL1BCRSMN1; SMN2L3MBTL1MEN1
SCHEMBL27591817 0.85 NTRK1 (0.48) NTRK1EPHX2HDAC4HDAC6S1PR1
SCHEMBL6317998 0.84 TRPV1 (0.55) NPC1ABL1BCRSMN1; SMN2RAB9A
SCHEMBL6323026 0.80 POLB (0.56) ABL1BCRMAPTL3MBTL1MEN1

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 6 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
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 1849/4885EPHX2 4156/4885HDAC4 869/4885

“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.