SCHEMBL1504482

SCHEMBL1504482

NC(=O)c1c[nH]c(N)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PDPK1 O15530 1/20 0.33
GDA Q9Y2T3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PARP1 P09874 1/20 0.32
METAP2 P50579 1/20 0.30
BTK Q06187 1/20 0.30
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL1801972 0.76 NOTUM (0.47) ALDH1A1MAPTMEN1KMT2AGDA
SCHEMBL4783577 0.67
SCHEMBL25066046 0.66 KDM4E (0.42) MAPTMEN1KMT2AKDM4EBTK
SCHEMBL7705143 0.66 ALDH1A1 (0.43) ALDH1A1ATMMAPTMEN1MAPK1
SCHEMBL23313118 0.66 NOTUM (0.41) ALDH1A1ATMPIM1PIM3
SCHEMBL5174952 0.65 NOTUM (0.40) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5173610 0.65 KDM4E (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9432675 0.64 ALDH1A1 (0.46) ALDH1A1ATMMAPTMEN1MAPK1
SCHEMBL34465393 0.64 ALDH1A1 (0.46) ALDH1A1ATMMAPTMEN1MAPK1
SCHEMBL7209768 0.64 IKBKB (0.41) ALDH1A1ATMMAPTMEN1MAPK1

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
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885ATM 1315/4885MAPT 4399/4885

“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.