SCHEMBL6316689

SCHEMBL6316689

Nc1onc(-c2cccnc2)c1C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
HSD17B4 P51659 1/20 0.44
HPGDS O60760 3/20 0.42
TACR3 P29371 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.40
ATR Q13535 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6318188 0.89 L3MBTL1 (0.48) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6317594 0.87 CA1 (0.48) ALDH1A1KDM4ECA1CA2CA4
SCHEMBL6318126 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6323514 0.83 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315437 0.83 EPHX2 (0.57) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6317791 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6316413 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6317599 0.80 LMNA (0.59) ALDH1A1KDM4EL3MBTL1POLBLMNA
SCHEMBL6617642 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EL3MBTL1CA1CA2
SCHEMBL6315186 0.80 TDO2 (0.49) ALDH1A1KDM4EL3MBTL1CA1CA2

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 9 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-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-6977261-B2 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-12-20 US disclosed
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
US-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-02-26 US 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-20040038961-A1 Azaisoquinoline derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP1 ALDH1A1 1568/4885KDM4E 462/4885L3MBTL1 4464/4885

“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.