SCHEMBL9921742

SCHEMBL9921742

Cc1cc(-n2c(=O)[nH]c3nnc4[nH]ccc4c32)ccc1OC1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.39
JAK2 O60674 9/20 0.39
JAK3 P52333 9/20 0.39
TYK2 P29597 1/20 0.39
BRD4 O60885 2/20 0.38
MAPK14 Q16539 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
RAF1 P04049 1/20 0.35
ARAF P10398 1/20 0.35
BRAF P15056 1/20 0.35
EGFR P00533 2/20 0.35
MAP3K14 Q99558 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
SCHEMBL9918535 0.90 JAK1 (0.38) JAK1JAK2JAK3TYK2BRD4
SCHEMBL9921664 0.82 MAP3K11 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL9921741 0.75 ESR1 (0.38) JAK1JAK2JAK3TYK2
SCHEMBL9918533 0.73 MAP3K11 (0.41) JAK1JAK2JAK3TYK2
SCHEMBL18421083 0.69 EGFR (0.41) HRH3EGFR
SCHEMBL9921770 0.68 SMN1; SMN2 (0.42)
SCHEMBL9918554 0.67 PDE3B (0.40) JAK1JAK2JAK3
SCHEMBL9918552 0.67 HTT (0.39) JAK1JAK2JAK3
SCHEMBL9918547 0.67 JAK2 (0.32) JAK1JAK2JAK3
SCHEMBL9918534 0.67 TSHR (0.35) JAK1JAK2JAK3TYK2

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 1 patent. 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

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.