SCHEMBL6318264

SCHEMBL6318264

NC(=O)c1c(-c2ccncc2)noc1NC(=O)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
GRM5 P41594 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDC7 O00311 1/20 0.40
MAPK14 Q16539 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 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
SCHEMBL6322587 0.88 MAPT (0.51) PARP1MAPTGRM5NPC1RAB9A
SCHEMBL6322794 0.87 NT5E (0.55) MAPK1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL6322937 0.87 CYP1A2 (0.48) PARP1SMN1; SMN2NPC1RAB9AMAPK14
SCHEMBL6315634 0.87 FLT3 (0.47) PARP1MAPTSMN1; SMN2GRM5KDM4E
SCHEMBL6319728 0.86 TBK1 (0.52) MAPK1SMN1; SMN2RAB9AKDM4EHTT
SCHEMBL27591464 0.84 MAPK14 (0.41) PARP1MAPK1MAPTSMN1; SMN2GRM5
SCHEMBL6317501 0.84 MAPT (0.53) PARP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6321264 0.84 LMNA (0.55) LMNA
SCHEMBL6318091 0.82 NPC1 (0.55) MAPK1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6316602 0.81 MAPT (0.43) PARP1MAPTSMN1; SMN2GRM5NPC1

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 11 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-6872792-B2 Metathesis polymerization adhesives and coatings LORD CORPORATION (US) 2005-03-29 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
US-6800170-B2 INCREASING THE BONDING STRENGTH TO SUBSTRATE, BY USING A POLYMERIZABLE MONOMER SELECTING FROM CYCLOBUTENE, NORBORNENE, AND A METALLIC COMPLEXES CATALYST TO FORM METATHESIS RING OPENING POLYMERIZATION LORD CORPORATION 2004-10-05 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
US-20030230598-A1 Metathesis polymerization adhesives and coatings LORD CORPORATION 2003-12-18 US disclosed
US-20030058812-A1 Metathesis polymerization adhesives and coatings LORD CORPORATION 2003-03-27 US disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
WO-2003000764-A2 METATHESIS POLYMERIZATION ADHESIVES AND COATINGS LORD CORPORATION (US) 2003-01-03 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 PARP1 811/4885MAPK1 178/4885MAPT 281/4885

“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.