SCHEMBL6323619

SCHEMBL6323619

Nc1onc(-c2cccnc2)c1C(=O)NCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
EPHX2 P34913 1/20 0.57
ALDH1A1 P00352 4/20 0.53
PTAFR P25105 2/20 0.52
TSHR P16473 1/20 0.51
FAAH O00519 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ASAH1 Q13510 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NAMPT P43490 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL6317724 0.97 L3MBTL1 (0.58) L3MBTL1EPHX2ALDH1A1PTAFRTSHR
SCHEMBL6315431 0.94 ALDH1A1 (0.55) L3MBTL1EPHX2ALDH1A1PTAFRFAAH
SCHEMBL6316553 0.87 ALDH1A1 (0.66) L3MBTL1ALDH1A1TSHRKDM4EKMT2A
SCHEMBL6318002 0.86 GAA (0.50) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6316924 0.85 GAA (0.49) L3MBTL1ALDH1A1KDM4EHDAC3HDAC4
SCHEMBL6322760 0.84 GAA (0.48) L3MBTL1ALDH1A1FAAHKDM4EHDAC3
SCHEMBL6321937 0.84 GAA (0.48) L3MBTL1ALDH1A1FAAHKDM4EHDAC3
SCHEMBL6315661 0.84 GAA (0.48) L3MBTL1ALDH1A1FAAHKDM4EHDAC3
SCHEMBL6323477 0.83 ALDH1A1 (0.46) L3MBTL1ALDH1A1PTAFRKDM4EMEN1
SCHEMBL6315437 0.83 EPHX2 (0.57) L3MBTL1EPHX2ALDH1A1KDM4EKMT2A

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 L3MBTL1 4176/4885EPHX2 4156/4885ALDH1A1 4444/4885

“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.