SCHEMBL6324017

SCHEMBL6324017

Nc1onc(-c2cccnc2)c1C(=O)NCC1CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 6/20 0.55
NPSR1 Q6W5P4 1/20 0.48
HIF1A Q16665 1/20 0.46
GSK3B P49841 2/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MLLT1 Q03111 1/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GABRA1 P14867 3/20 0.41
VCP P55072 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
RORC P51449 1/20 0.40
ITGA5 P08648 1/20 0.40
ACHE P22303 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
SCHEMBL6322066 0.95 GABRA5 (0.50) GABRA5NPSR1HIF1AGSK3BKCNH2
SCHEMBL6315546 0.81 ALDH1A1 (0.49) GABRA5HIF1AALDH1A1KDM4EL3MBTL1
SCHEMBL6316553 0.81 ALDH1A1 (0.66) NPSR1ALDH1A1KDM4EL3MBTL1CA1
SCHEMBL6317454 0.81 DYRK1A (0.49) GABRA5ALDH1A1MLLT1ITGA5
SCHEMBL6316388 0.81 DYRK1A (0.49) GABRA5ALDH1A1MLLT1KDM4EL3MBTL1
SCHEMBL6324531 0.80 DYRK1A (0.50) GABRA5ALDH1A1ITGA5
SCHEMBL6315727 0.80 DYRK1A (0.50) GABRA5ALDH1A1ITGA5
SCHEMBL6318002 0.80 GAA (0.50) HIF1AALDH1A1KDM4EL3MBTL1
SCHEMBL6315451 0.79 ALDH1A1 (0.47) GABRA5NPSR1ALDH1A1KDM4EL3MBTL1
SCHEMBL6316924 0.79 GAA (0.49) HIF1AALDH1A1KDM4EL3MBTL1

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 GABRA5 742/4885NPSR1 4399/4885HIF1A 3267/4885

“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.