SCHEMBL9918535

SCHEMBL9918535

CN1CCC(Oc2ccc(-n3c(=O)[nH]c4nnc5[nH]ccc5c43)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.38
JAK2 O60674 5/20 0.38
JAK3 P52333 5/20 0.38
TYK2 P29597 1/20 0.38
BRD4 O60885 2/20 0.38
FPR2 P25090 4/20 0.36
PROKR1 Q8TCW9 4/20 0.36
SLC2A1 P11166 1/20 0.36
IDH1 O75874 1/20 0.36
EGFR P00533 3/20 0.35
CYP2D6 P10635 1/20 0.35
SLC9A3 P48764 1/20 0.35
ERBB2 P04626 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9921742 0.90 JAK1 (0.39) JAK1JAK2JAK3TYK2BRD4
SCHEMBL9918533 0.82 MAP3K11 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL9918534 0.75 TSHR (0.35) JAK1JAK2JAK3TYK2CYP2D6
SCHEMBL9921664 0.73 MAP3K11 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL9918540 0.71 EGFR (0.42) JAK1JAK2JAK3BRD4SLC2A1
SCHEMBL18421083 0.68 EGFR (0.41) EGFR
SCHEMBL9921770 0.67 SMN1; SMN2 (0.42)
SCHEMBL9918554 0.67 PDE3B (0.40) JAK1JAK2JAK3
SCHEMBL9921741 0.67 ESR1 (0.38) JAK1JAK2JAK3TYK2
SCHEMBL9918552 0.66 HTT (0.39) JAK1JAK2JAK3

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 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 2/4885JAK2 1/4885JAK3 3/4885

“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.