SCHEMBL6317017

SCHEMBL6317017

NC(=O)c1c(-c2cccs2)noc1NC(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 3/20 0.52
RECQL P46063 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC3 O15379 5/20 0.48
HDAC1 Q13547 5/20 0.48
HDAC2 Q92769 5/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 4/20 0.46
PKM P14618 1/20 0.46
GSK3B P49841 4/20 0.44
GSK3A P49840 3/20 0.44
CDK2 P24941 2/20 0.44
MAPK10 P53779 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL6318281 0.80 ADORA2B (0.51) KDM4EHDAC3HDAC1HDAC2HPGD
SCHEMBL6317926 0.80 ADORA2A (0.49) HTTNPC1GSK3BGSK3AMAPK10
SCHEMBL6315484 0.80 GSK3B (0.44) HTTGSK3BGSK3ACDK2MAPK10
SCHEMBL6314638 0.79 ALDH1A1 (0.54) KDM4ERAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL6317899 0.79 KMT2A (0.50) RAB9AALDH1A1SMN1; SMN2HDAC3HDAC1
SCHEMBL6315905 0.78 KDM4E (0.51) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6318058 0.78 KMT2A (0.54) KDM4ERAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6317632 0.77 ADORA2A (0.53) KDM4ERAB9AALDH1A1SMN1; SMN2HDAC1
SCHEMBL6317960 0.77 RET (0.41) KDM4ERAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL6318172 0.77 NPC1 (0.50) KDM4ERAB9AALDH1A1SMN1; SMN2HDAC3

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 KDM4E 1382/4885RAB9A 1754/4885ALDH1A1 4444/4885

“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.