SCHEMBL1504356

SCHEMBL1504356

c1cc(-c2cnnc3[nH]ccc23)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.39
AURKA O14965 2/20 0.39
INCENP Q9NQS7 2/20 0.39
TPX2 Q9ULW0 2/20 0.39
JAK1 P23458 7/20 0.36
JAK2 O60674 6/20 0.36
NUDT1 P36639 4/20 0.36
JAK3 P52333 4/20 0.36
IGF1R P08069 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36

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
SCHEMBL1504408 0.79 JAK2 (0.57) AURKBAURKAINCENPTPX2JAK2
SCHEMBL1504472 0.79 AURKA (0.63) AURKBAURKAINCENPTPX2JAK1
Hydrochloric Acid SCHEMBL1504709 0.78 AURKA (0.61) AURKBAURKAINCENPTPX2JAK1
SCHEMBL12472076 0.70 ALDH1A1 (0.43) AURKBJAK2NUDT1JAK3IGF1R
SCHEMBL1504261 0.70 ALDH1A1 (0.43) AURKBJAK2NUDT1JAK3IGF1R
SCHEMBL1504285 0.67 PRKCI (0.52) AURKBAURKAINCENPTPX2JAK2
SCHEMBL1504325 0.67 PRKCI (0.52) AURKBAURKAINCENPTPX2JAK1
SCHEMBL30678619 0.67 PRKCI (0.52) AURKBAURKAINCENPTPX2JAK1
SCHEMBL9918719 0.67 PRKCI (0.47) AURKBAURKAINCENPTPX2JAK1
SCHEMBL1504418 0.67 DYRK1A (0.39) JAK2NUDT1JAK3IKBKBCHUK

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
CN-102574863-A Heterocyclic compounds as JANUS kinase inhibitors BIOCRYST PHARM INC 2012-07-11 CN claimed
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
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 AURKB 406/4885AURKA 212/4885INCENP 4233/4885

“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.