SCHEMBL6314799

SCHEMBL6314799

NC(=O)c1c(-c2ccccn2)noc1NC(=O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
KCNK3 O14649 1/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43
KCNQ5 Q9NR82 1/20 0.43
ALPL P05186 1/20 0.42
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6316069 0.89 GRM1 (0.50) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL6317947 0.87 ADORA3 (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6315705 0.84 ADORA3 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6322937 0.83 CYP1A2 (0.48) SMN1; SMN2TP53CYP1A2CYP2C19USP2
SCHEMBL6317827 0.83 TRPV1 (0.56) NPC1RAB9A
SCHEMBL6316034 0.82 ADORA3 (0.50) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL6316620 0.82 SMN1; SMN2 (0.44) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL6316679 0.80 SMN1; SMN2 (0.55) SMN1; SMN2TP53CYP1A2CYP2C19MEN1
SCHEMBL6315971 0.80 TRPV1 (0.56) SMN1; SMN2TP53MEN1KMT2A
SCHEMBL6321792 0.80 F2 (0.43) SMN1; SMN2TP53MEN1KMT2ANPC1

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 SMN1; SMN2 2766/4885TP53 609/4885CYP1A2 4402/4885

“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.