SCHEMBL9923334

SCHEMBL9923334

N#Cc1cnn2c(N=O)ccc2c1NC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 3/20 0.37
JAK2 O60674 2/20 0.37
CSNK2A1 P68400 5/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
BCL6 P41182 1/20 0.34
SRC P12931 1/20 0.34
KCNH2 Q12809 1/20 0.33
F2R P25116 1/20 0.33
CSNK2A2 P19784 1/20 0.33

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
SCHEMBL9923433 0.85 JAK1 (0.35) JAK1TYK2JAK3JAK2CSNK2A1
SCHEMBL1160385 0.79 MEN1 (0.45) JAK1TYK2JAK3JAK2CSNK2A1
SCHEMBL9923337 0.78 CSNK2A1 (0.46) CSNK2A1
SCHEMBL9923331 0.77 JAK1 (0.61) JAK1TYK2JAK3JAK2KCNH2
SCHEMBL9923090 0.76 JAK1 (0.43) JAK1TYK2JAK3JAK2CSNK2A1
SCHEMBL1160281 0.74 JAK1 (0.64) JAK1TYK2JAK3JAK2CSNK2A1
SCHEMBL1160503 0.73 JAK1 (0.63) JAK1TYK2JAK3JAK2CSNK2A1
SCHEMBL1160492 0.73 JAK1 (0.63) JAK1TYK2JAK3JAK2CSNK2A1
SCHEMBL9923432 0.73 KDM4E (0.35) CSNK2A1KDM4EALDH1A1
SCHEMBL9923437 0.73 KDM4D (0.33) CSNK2A1KDM4EALDH1A1

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 1/4885TYK2 10/4885JAK3 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.