SCHEMBL1504472

SCHEMBL1504472

c1cc2c(-c3cn[nH]c3)cnnc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.63
AURKB Q96GD4 1/20 0.63
INCENP Q9NQS7 1/20 0.63
TPX2 Q9ULW0 1/20 0.63
JAK1 P23458 17/20 0.47
JAK2 O60674 7/20 0.47
MAPK1 P28482 1/20 0.44
RPS6KA3 P51812 1/20 0.42
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 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
Hydrochloric Acid SCHEMBL1504709 0.98 AURKA (0.61) AURKAAURKBINCENPTPX2JAK1
SCHEMBL1504356 0.79 AURKB (0.39) AURKAAURKBINCENPTPX2JAK1
SCHEMBL1504408 0.78 JAK2 (0.57) AURKAAURKBINCENPTPX2JAK2
SCHEMBL31061291 0.77 AURKB (1.00) AURKAAURKBINCENPTPX2JAK1
SCHEMBL2239177 0.77 AURKB (1.00) AURKAAURKBINCENPTPX2JAK1
SCHEMBL30557126 0.72 BRD4 (0.55) AURKAAURKBINCENPTPX2JAK1
SCHEMBL21958476 0.70 JAK1 (0.65) AURKAAURKBINCENPTPX2JAK1
SCHEMBL30557210 0.69 PIK3CD (0.58) AURKAAURKBINCENPTPX2JAK1
SCHEMBL12472076 0.69 ALDH1A1 (0.43) AURKBJAK2RPS6KA3JAK3
SCHEMBL1504261 0.69 ALDH1A1 (0.43) AURKBJAK2RPS6KA3JAK3

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 AURKA 212/4885AURKB 406/4885INCENP 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.