SCHEMBL6314982

SCHEMBL6314982

NC(=O)c1c(-c2ccncc2)noc1NC(=O)c1ccc(CCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.43
IKBKE Q14164 7/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
FLT3 P36888 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL6315817 0.89 ITK (0.47) TBK1IKBKESMN1; SMN2NPC1ALDH1A1
SCHEMBL6317602 0.87 KMT2A (0.51) SMN1; SMN2NPC1ALDH1A1MAPTFLT3
SCHEMBL6318347 0.85 IKBKE (0.54) TBK1IKBKESMN1; SMN2ALDH1A1MAPT
SCHEMBL6319348 0.85 MAPK14 (0.54) TBK1IKBKESMN1; SMN2NPC1ALDH1A1
SCHEMBL6319728 0.84 TBK1 (0.52) TBK1SMN1; SMN2ALDH1A1RAB9ATP53
SCHEMBL6319264 0.84 NPC1 (0.47) NPC1
SCHEMBL6317649 0.84 SMN1; SMN2 (0.54) TBK1SMN1; SMN2NPC1ALDH1A1FLT3
SCHEMBL27591481 0.83 MAPK14 (0.43) TBK1IKBKESMN1; SMN2NPC1ALDH1A1
SCHEMBL6318710 0.82 HDAC1 (0.43) SMN1; SMN2ALDH1A1MAPTTP53MAPK1
SCHEMBL6321751 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1ALDH1A1MAPTFLT3

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 TBK1 73/4885IKBKE 80/4885SMN1; 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.