SCHEMBL1504408

SCHEMBL1504408

c1ccc(-c2cnnc3[nH]ccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.57
CDK8 P49336 3/20 0.57
AURKB Q96GD4 3/20 0.57
PRKD3 O94806 2/20 0.57
MAP4K4 O95819 2/20 0.57
IGF1R P08069 2/20 0.57
FGFR1 P11362 2/20 0.57
FLT1 P17948 2/20 0.57
KDR P35968 2/20 0.57
MAPK8 P45983 2/20 0.57
CLK2 P49760 2/20 0.57
JAK3 P52333 2/20 0.57
CDK5 Q00535 2/20 0.57
MAP4K2 Q12851 2/20 0.57
DYRK1A Q13627 2/20 0.57
NTRK3 Q16288 2/20 0.57
NTRK2 Q16620 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
IKBKB O14920 1/20 0.57
CHUK O15111 1/20 0.57

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 0.79 ALDH1A1 (0.43) JAK2CDK8AURKBPRKD3MAP4K4
SCHEMBL1504356 0.79 AURKB (0.39) JAK2CDK8AURKBPRKD3MAP4K4
SCHEMBL1504261 0.79 ALDH1A1 (0.43) JAK2CDK8AURKBPRKD3MAP4K4
SCHEMBL1504472 0.78 AURKA (0.63) JAK2AURKBJAK3RPS6KA3MAPK1
Hydrochloric Acid SCHEMBL1504709 0.77 AURKA (0.61) JAK2AURKBJAK3RPS6KA3MAPK1
SCHEMBL857275 0.73 IKBKB (1.00) JAK2CDK8AURKBPRKD3MAP4K4
SCHEMBL31466647 0.71 NUDT1 (0.38) JAK2PRKD3MAP4K4FGFR1FLT1
SCHEMBL12127858 0.70 IKBKB (0.93) JAK2CDK8AURKBPRKD3MAP4K4
SCHEMBL30557437 0.70 PDPK1 (0.42) JAK2CDK8AURKBPRKD3MAP4K4
SCHEMBL15793921 0.70 PDPK1 (0.42) JAK2CDK8AURKBPRKD3MAP4K4

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 JAK2 1/4885CDK8 411/4885AURKB 406/4885

“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.