SCHEMBL6322734

SCHEMBL6322734

NC(=O)c1c(-c2ccccn2)noc1NC(=O)C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
FLT3 P36888 1/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
MMP1 P03956 3/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
EGFR P00533 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
DHODH Q02127 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
SCHEMBL6322724 1.00 RAB9A (0.46) RAB9ANPC1SMN1; SMN2FLT3KMT2A
SCHEMBL6318983 0.83 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2FLT3KMT2A
SCHEMBL6318974 0.83 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2FLT3KMT2A
SCHEMBL6316405 0.80 FLT3 (0.47) RAB9ANPC1SMN1; SMN2FLT3KMT2A
SCHEMBL6316396 0.80 FLT3 (0.47) RAB9ANPC1SMN1; SMN2FLT3KMT2A
SCHEMBL6317090 0.76 RET (0.39) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL6317779 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL6317676 0.76 EDNRA (0.46) KMT2AMAPT
SCHEMBL6315406 0.75 RAB9A (0.41) RAB9ANPC1KMT2AKDM4ETP53
SCHEMBL6318219 0.74 EDNRA (0.42) KMT2AKDM4EPKMALDH1A1

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 RAB9A 1754/4885NPC1 3741/4885SMN1; 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.