SCHEMBL6322146

SCHEMBL6322146

CCc1ccc(-c2noc(N)c2C(=O)NC(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.44
ALDH1A1 P00352 2/20 0.43
STAT3 P40763 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE5A O76074 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TACR3 P29371 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR2 P21452 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
SCHEMBL6318494 0.91 L3MBTL1 (0.47) ALDH1A1STAT3MEN1KMT2ANPSR1
SCHEMBL6317410 0.87 TACR3 (0.40) HPGDSALDH1A1CA1CA2CA4
SCHEMBL6320941 0.85 EPHX2 (0.47) ALDH1A1CA1CA2CA4CA7
SCHEMBL6323195 0.84 CA1 (0.43) CA1CA2CA4CA7MEN1
SCHEMBL6323996 0.84 CA1 (0.42) ALDH1A1CA1CA2CA4CA7
SCHEMBL6315649 0.84 CA1 (0.42) ALDH1A1CA1CA2CA4CA7
SCHEMBL6316292 0.83 HPGD (0.47) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL6619619 0.83 EPHX2 (0.39) ALDH1A1CA1CA2CA4CA7
SCHEMBL6315742 0.82 CA1 (0.41) ALDH1A1CA1CA2CA4CA7
SCHEMBL6322675 0.82 CA1 (0.41) ALDH1A1CA1CA2CA4CA7

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 HPGDS 1086/4885ALDH1A1 4444/4885STAT3 300/4885

“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.