SCHEMBL6316271

SCHEMBL6316271

Nc1onc(-c2ccc3ccccc3n2)c1C(=O)Nc1ccc2c(c1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.49
RAB9A P51151 12/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
NFKB1 P19838 7/20 0.49
NFKB2 Q00653 7/20 0.49
RELA Q04206 7/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
TP53 P04637 4/20 0.46
HTT P42858 4/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
PLAU P00749 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL6316253 0.83 RAB9A (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6318150 0.82 CA1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6316860 0.78 RAB9A (0.57) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6316836 0.78 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6316411 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6316714 0.76 RAB9A (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6321873 0.75 RAB9A (0.53) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL6322557 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6315080 0.75 MAPT (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6315247 0.74 RAB9A (0.47) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 NPC1 3741/4885RAB9A 1754/4885SMN1; SMN2 2766/4885

“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.