SCHEMBL9920344

SCHEMBL9920344

[C-]#[N+]c1cnn2c(C)ccc2c1NC1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.34
JAK3 P52333 3/20 0.34
JAK2 O60674 2/20 0.34
TYK2 P29597 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
NR2F2 P24468 1/20 0.34
TP53 P04637 5/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PDE4B Q07343 2/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 2/20 0.30

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
SCHEMBL9920329 0.85 TSHR (0.35) JAK1JAK3JAK2MEN1KMT2A
SCHEMBL9920322 0.85 TSHR (0.35) JAK1JAK3JAK2MEN1KMT2A
SCHEMBL9920334 0.76 JAK1 (0.59) JAK1JAK3JAK2TYK2
SCHEMBL9920333 0.75 JAK1 (0.58) JAK1JAK3JAK2TYK2ALDH1A1
SCHEMBL9920341 0.75 JAK1 (0.58) JAK1JAK3JAK2TYK2ALDH1A1
SCHEMBL9920343 0.74 JAK1 (0.63) JAK1JAK3JAK2TYK2
SCHEMBL9920370 0.68 TSHR (0.34) JAK1JAK3JAK2L3MBTL1
SCHEMBL9920453 0.68 MEN1 (0.34) JAK1JAK3JAK2MEN1KMT2A
SCHEMBL9920350 0.68 L3MBTL1 (0.41) JAK1JAK3JAK2TYK2POLB
SCHEMBL9920367 0.67 TSHR (0.44) JAK1JAK3JAK2MEN1KMT2A

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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 JAK1 1/4885JAK3 3/4885JAK2 2/4885

“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.