SCHEMBL6315817

SCHEMBL6315817

CCc1ccc(C(=O)Nc2onc(-c3ccncc3)c2C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.47
TBK1 Q9UHD2 9/20 0.44
IKBKE Q14164 5/20 0.44
TRPV1 Q8NER1 1/20 0.44
DEGS1 O15121 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 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
SCHEMBL6314982 0.89 TBK1 (0.43) TBK1IKBKESMN1; SMN2RAB9ATP53
SCHEMBL6318347 0.87 IKBKE (0.54) ITKTBK1IKBKETRPV1SMN1; SMN2
SCHEMBL6317998 0.87 TRPV1 (0.55) TRPV1DEGS1SMN1; SMN2RAB9ALMNA
SCHEMBL6317604 0.86 DEGS1 (0.40) TBK1IKBKETRPV1DEGS1SMN1; SMN2
SCHEMBL6319348 0.85 MAPK14 (0.54) TBK1IKBKESMN1; SMN2RAB9ALMNA
SCHEMBL6317602 0.85 KMT2A (0.51) SMN1; SMN2RAB9ATP53MAPTALDH1A1
SCHEMBL6319728 0.84 TBK1 (0.52) TBK1SMN1; SMN2RAB9ATP53ALDH1A1
SCHEMBL6321751 0.84 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ALMNATP53MAPT
SCHEMBL6317649 0.84 SMN1; SMN2 (0.54) TBK1SMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL6319264 0.84 NPC1 (0.47) TRPV1NPC1MAPK14

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 ITK 506/4885TBK1 73/4885IKBKE 80/4885

“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.