SCHEMBL6318092

SCHEMBL6318092

CCCC(CCC)C(=O)Nc1onc(-c2cccnc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RET P07949 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK1 Q9BUB5 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GABRA5 P31644 2/20 0.37
KCNH2 Q12809 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
EDNRA P25101 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
SMO Q99835 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
SCHEMBL6316996 0.91 KMT2A (0.44) ALDH1A1KDM4EL3MBTL1RETGAA
SCHEMBL6317564 0.87 MLYCD (0.42) ALDH1A1KDM4EL3MBTL1GAAMEN1
SCHEMBL6317074 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1GAAMEN1
SCHEMBL6316288 0.80 RET (0.40) ALDH1A1KDM4ERETGAAMEN1
SCHEMBL6318201 0.80 RET (0.40) ALDH1A1L3MBTL1RETGAAMEN1
SCHEMBL6318389 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ERETGAAMEN1
SCHEMBL6317636 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1RETGAA
SCHEMBL6316529 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1RETGAA
SCHEMBL6317998 0.78 TRPV1 (0.55) ALDH1A1KDM4EL3MBTL1MKNK1MKNK2
SCHEMBL6317626 0.78 MLYCD (0.43) ALDH1A1KDM4EL3MBTL1GAAMEN1

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
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
US-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-17 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 ALDH1A1 4444/4885KDM4E 1382/4885L3MBTL1 4176/4885
US-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ALDH1A1 3292/4885KDM4E 1897/4885L3MBTL1 3083/4885

“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.