SCHEMBL9921741

SCHEMBL9921741

CNC(=O)COc1ccc(-n2c(=O)[nH]c3nnc4[nH]ccc4c32)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 3/20 0.35
TYK2 P29597 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NOTUM Q6P988 2/20 0.34
NTRK1 P04629 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34
NTRK2 Q16620 1/20 0.34
PDE4B Q07343 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
SCHEMBL9921664 0.83 MAP3K11 (0.41) TP53JAK2JAK1JAK3TYK2
SCHEMBL9918534 0.80 TSHR (0.35) TP53JAK2JAK1JAK3TYK2
SCHEMBL9921742 0.75 JAK1 (0.39) JAK2JAK1JAK3TYK2
SCHEMBL9918533 0.74 MAP3K11 (0.41) TP53JAK2JAK1JAK3TYK2
SCHEMBL12833305 0.70 NOTUM (0.40) ESR1BCHEACHEPKMNOTUM
SCHEMBL9921743 0.69 PDE3B (0.37) JAK2JAK1JAK3TYK2ALDH1A1
SCHEMBL9918535 0.67 JAK1 (0.38) JAK2JAK1JAK3TYK2
SCHEMBL9918531 0.67 PDE2A (0.32) JAK2JAK1JAK3MEN1KMT2A
SCHEMBL9918552 0.65 HTT (0.39) JAK2JAK1JAK3KMT2AALDH1A1
SCHEMBL9923070 0.65 HPGD (0.65) ESR1BCHEACHETP53TDP1

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 ESR1 4248/4885GRIN1 2020/4885GRIN2B 4172/4885

“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.