SCHEMBL9918650

SCHEMBL9918650

O=C(O)c1nnc2[nH]ccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.41
PRKCI P41743 2/20 0.41
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
NOTUM Q6P988 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
KMO O15229 1/20 0.33
FTO Q9C0B1 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL9918651 0.85 PRKCI (0.40) AXLPRKCINOTUMJAK2JAK1
SCHEMBL12833213 0.81 EGLN1 (0.38) AURKATPX2NOTUMJAK2JAK1
SCHEMBL9918654 0.77 NUDT1 (0.52) AXLPRKCIJAK1JAK3
SCHEMBL1654705 0.72 PDK1 (0.39) AXLPRKCIAURKATPX2NOTUM
SCHEMBL29588316 0.71 AXL (0.56) AXLPRKCINOTUMJAK2JAK1
SCHEMBL1154022 0.71 AXL (0.56) AXLPRKCINOTUMJAK2JAK1
SCHEMBL9918662 0.71 PRKCI (0.55) AXLPRKCIAURKAJAK2JAK1
SCHEMBL12684549 0.70 PRKCI (0.42) AXLPRKCIJAK2JAK1TYK2
SCHEMBL9918666 0.69 JAK3 (0.38) NOTUMJAK2JAK3
SCHEMBL3491733 0.68 JAK3 (0.59) NOTUMJAK2JAK3

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
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO 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

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 AXL 724/4885PRKCI 156/4885AURKA 212/4885

“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.