SCHEMBL1504518

SCHEMBL1504518

c1cc2c(-c3cnn(C4CCCC4)c3)cnnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.47
AURKA O14965 2/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
JAK3 P52333 4/20 0.38
JAK2 O60674 3/20 0.38
TYK2 P29597 2/20 0.38
MET P08581 1/20 0.38
PRKCA P17252 1/20 0.38
KDR P35968 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP3A5 P20815 2/20 0.37
CYP3A7 P24462 2/20 0.37
CYP2C19 P33261 2/20 0.37
PDK4 Q16654 2/20 0.37
CYP3A43 Q9HB55 2/20 0.37
GRM4 Q14833 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL12833227 0.84 JAK1 (0.41) JAK1AURKAAURKBINCENPTPX2
SCHEMBL3375420 0.82 AURKB (0.64) JAK1AURKAAURKBINCENPTPX2
SCHEMBL9893749 0.82 JAK1 (0.43) JAK1AURKAAURKBINCENPTPX2
SCHEMBL9893804 0.82 JAK1 (0.43) JAK1AURKAAURKBINCENPTPX2
SCHEMBL9893905 0.82 JAK1 (0.43) JAK1AURKAAURKBINCENPTPX2
SCHEMBL9894542 0.82 JAK1 (0.43) JAK1AURKAAURKBINCENPTPX2
SCHEMBL1504421 0.82 JAK1 (0.43) JAK1AURKAAURKBINCENPTPX2
SCHEMBL29541367 0.81 AURKB (0.63) JAK1AURKAAURKBINCENPTPX2
SCHEMBL99743 0.81 AURKB (0.63) JAK1AURKAAURKBINCENPTPX2
SCHEMBL9893396 0.81 JAK1 (0.40) JAK1AURKAAURKBINCENPTPX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US claimed
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
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 JAK1 2/4885AURKA 212/4885AURKB 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.