SCHEMBL6315656

SCHEMBL6315656

Nc1onc(-c2ccc(Cl)o2)c1C(=O)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
PTGS1 P23219 5/20 0.48
EPHX2 P34913 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR2 P34972 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
SCHEMBL6616611 0.92 CA1 (0.49) CA1CA2CA4CA7PTGS1
SCHEMBL6315648 0.87 NPSR1 (0.50) EPHX2SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6322758 0.87 CA1 (0.54) CA1CA2CA4CA7PTGS1
SCHEMBL6317688 0.86 CA1 (0.53) CA1CA2CA4CA7PTGS1
SCHEMBL6324193 0.85 MAPT (0.47) EPHX2SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL6317548 0.84 L3MBTL1 (0.53) CA1CA2CA4CA7PTGS1
SCHEMBL6317479 0.84 CA1 (0.55) CA1CA2CA4CA7PTGS1
SCHEMBL6323666 0.84 CA1 (0.55) CA1CA2CA4CA7PTGS1
SCHEMBL6323713 0.83 CA1 (0.51) CA1CA2CA4CA7PTGS1
SCHEMBL6318320 0.83 EPHX2 (0.47) EPHX2SMN1; SMN2ALDH1A1MAPTMAPK1

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
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-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 CA1 2406/4885CA2 2764/4885CA4 4029/4885

“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.