SCHEMBL1504261

SCHEMBL1504261

Nc1ccccc1-c1cnnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BTK Q06187 1/20 0.42
IDO1 P14902 4/20 0.41
TGFBR1 P36897 1/20 0.39
JAK2 O60674 3/20 0.39
DAPK3 O43293 2/20 0.39
PRKD3 O94806 2/20 0.39
MAP4K4 O95819 2/20 0.39
PAK4 O96013 2/20 0.39
CSF1R P07333 2/20 0.39
RET P07949 2/20 0.39
FGFR1 P11362 2/20 0.39
PRKACA P17612 2/20 0.39
FLT1 P17948 2/20 0.39
LTK P29376 2/20 0.39
GRK5 P34947 2/20 0.39
KDR P35968 2/20 0.39
CSNK1A1 P48729 2/20 0.39
CLK2 P49760 2/20 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
SCHEMBL12472076 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1BTKIDO1TGFBR1
SCHEMBL1504408 0.79 JAK2 (0.57) TGFBR1JAK2DAPK3PRKD3MAP4K4
SCHEMBL1504418 0.78 DYRK1A (0.39) JAK2JAK3DYRK1AIKBKBCHUK
SCHEMBL2097365 0.77 IKBKB (0.63) JAK2DAPK3PRKD3MAP4K4PAK4
SCHEMBL12684144 0.75 ALDH1A1 (0.42) ALDH1A1L3MBTL1BTKIDO1JAK2
SCHEMBL12471811 0.74 ALDH1A1 (0.48) ALDH1A1BTKJAK2DAPK3PRKD3
SCHEMBL1504356 0.70 AURKB (0.39) TGFBR1JAK2DAPK3PRKD3MAP4K4
SCHEMBL2601265 0.70 JAK2 (0.63) BTKIDO1JAK2DAPK3PRKD3
SCHEMBL12684532 0.69 BTK (0.51) ALDH1A1L3MBTL1BTKIDO1JAK2
SCHEMBL2601273 0.69 CCNK (0.54) BTKIDO1JAK2DAPK3PRKD3

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 12 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 claimed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US claimed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO claimed
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
CN-102574863-A Heterocyclic compounds as JANUS kinase inhibitors BIOCRYST PHARM INC 2012-07-11 CN disclosed
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 1507/4885L3MBTL1 4676/4885BTK 27/4885

“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.