SCHEMBL6318178

SCHEMBL6318178

Nc1onc(-c2ccc(Br)s2)c1C(=O)NCC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
MLLT1 Q03111 1/20 0.39
PBK Q96KB5 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
STAT3 P40763 1/20 0.36
MCL1 Q07820 1/20 0.36
PTGER4 P35408 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR2 P34972 1/20 0.35
GABRA5 P31644 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL6318785 0.95 MEN1 (0.41) CA1CA2CA4CA7HIF1A
SCHEMBL6323442 0.88 MCL1 (0.52) HIF1ARAB9AMCL1
SCHEMBL6317885 0.88 CA1 (0.56) CA1CA2CA4CA7HIF1A
SCHEMBL6321518 0.87 CA1 (0.41) CA1CA2CA4CA7HIF1A
SCHEMBL6316333 0.84 KDM4E (0.43) CA1CA2CA4CA7NPSR1
SCHEMBL6317494 0.83 RAB9A (0.43) CA1CA2CA4CA7NPSR1
SCHEMBL6318794 0.83 CA2 (0.53) CA1CA2CA4CA7HDAC4
SCHEMBL6317270 0.82 NPC1 (0.41) CA1CA2CA4CA7NPSR1
SCHEMBL6321143 0.82 HPGD (0.51) CA1CA2CA4CA7MLLT1
SCHEMBL6324536 0.82 ALDH1A1 (0.48) CA1CA2CA4CA7MLLT1

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 5 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

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.