SCHEMBL9980549

SCHEMBL9980549

COC(=O)N=C(NC(=O)OC)Nn1cccc1C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 3/20 0.32
FBP1 P09467 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL12067290 1.00 MAPT (0.33) MAPTSMN1; SMN2NPC1PKMNFKB1
SCHEMBL14745936 1.00 MAPT (0.33) MAPTSMN1; SMN2NPC1PKMNFKB1
SCHEMBL14791071 0.79 MAPT (0.37) MAPTSMN1; SMN2NPC1PKMNFKB1
SCHEMBL1966568 0.71 NR1H2 (0.39) MAPTSMN1; SMN2NPC1PKMNFKB1
SCHEMBL14794964 0.69 KDM4E (0.37) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL1968376 0.68 SMN1; SMN2 (0.50) MAPTSMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL519468 0.67 ALDH1A1 (0.52) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL15771663 0.64 KDM4E (0.39) MAPTKDM4EALDH1A1HPGD
SCHEMBL15771661 0.64 KDM4E (0.39) MAPTKDM4EALDH1A1HPGD
SCHEMBL866607 0.64 RAB9A (0.58) MAPTSMN1; SMN2NPC1PKMNFKB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576561-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
WO-2013033093-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MAPT 4366/4885SMN1; SMN2 4086/4885NPC1 2752/4885

“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.