SCHEMBL9894542

SCHEMBL9894542

OC[C@@H]1CCC[C@@H]1n1cc(-c2cnnc3[nH]ccc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 16/20 0.43
JAK2 O60674 6/20 0.43
TYK2 P29597 3/20 0.43
JAK3 P52333 3/20 0.43
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
GRM4 Q14833 1/20 0.33
MET P08581 1/20 0.33
BMPR1B O00238 1/20 0.33
PLK4 O00444 1/20 0.33
STK25 O00506 1/20 0.33
CIT O14578 1/20 0.33
RIOK3 O14730 1/20 0.33
IKBKB O14920 1/20 0.33
CASK O14936 1/20 0.33
GAK O14976 1/20 0.33
DCLK1 O15075 1/20 0.33
EPHB6 O15197 1/20 0.33

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
SCHEMBL1504421 1.00 JAK1 (0.43) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9893749 1.00 JAK1 (0.43) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9893804 1.00 JAK1 (0.43) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9893905 1.00 JAK1 (0.43) JAK1JAK2TYK2JAK3AURKA
SCHEMBL12833227 0.89 JAK1 (0.41) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9894879 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9894269 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9893865 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3AURKA
SCHEMBL1504603 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3AURKA
SCHEMBL9893734 0.86 JAK1 (0.42) JAK1JAK2TYK2JAK3AURKA

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 2 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
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US 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 2/4885JAK2 1/4885TYK2 51/4885

“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.