SCHEMBL6316643

SCHEMBL6316643

NC(=O)c1c(-c2ccncc2)noc1NC(=O)CCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.67
LMNA P02545 1/20 0.54
KDM6B O15054 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
NPY5R Q15761 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
FLT3 P36888 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4334980 0.86 MAPK14 (0.88) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL6318012 0.86 MAPK14 (0.51) MAPK14LMNAKMT2AGAAMEN1
SCHEMBL27609899 0.84 MAPK14 (0.68) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL6316033 0.83 MAPK14 (0.47) MAPK14TDP1KMT2AGAAMEN1
SCHEMBL4333469 0.83 MAPK14 (0.86) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL6318380 0.83 ALDH1A1 (0.55) MAPK14LMNAKMT2AMEN1FLT3
SCHEMBL27765823 0.82 MAPK14 (0.80) MAPK14LMNAKDM6BKDM4DKDM4C
SCHEMBL6317765 0.81 MAPK14 (0.48) MAPK14LMNAKMT2AGAAMEN1
SCHEMBL6322876 0.81 LMNA (0.55) MAPK14LMNAKMT2AGAAMEN1
SCHEMBL4521201 0.81 MAPK14 (0.81) MAPK14LMNAKDM6BKDM4DKDM4C

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
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US claimed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 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 (2 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 MAPK14 111/4885LMNA 3334/4885KDM6B 1657/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 MAPK14 2232/4885LMNA 3598/4885KDM6B 3178/4885

“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.