SCHEMBL9920331

SCHEMBL9920331

[C-]#[N+]c1cnn2cccc2c1Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.37
JAK2 O60674 7/20 0.34
JAK3 P52333 7/20 0.34
JAK1 P23458 6/20 0.34
TYK2 P29597 6/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAP2K1 Q02750 2/20 0.33
LCK P06239 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHB3 P54753 1/20 0.32

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
SCHEMBL1160527 0.77 MAP2K1 (0.53) JAK1TYK2MAP2K1EPHB3
SCHEMBL9920334 0.74 JAK1 (0.59) JAK2JAK3JAK1TYK2
SCHEMBL9920360 0.73 EPHB3 (0.37) MAP4K4JAK2JAK3JAK1TYK2
SCHEMBL9920341 0.73 JAK1 (0.58) JAK2JAK3JAK1TYK2LCK
SCHEMBL9920333 0.73 JAK1 (0.58) JAK2JAK3JAK1TYK2LCK
SCHEMBL1160541 0.72 JAK1 (0.60) JAK2JAK3JAK1TYK2
SCHEMBL9920347 0.71 JAK1 (0.47) JAK2JAK3JAK1TYK2
SCHEMBL9920337 0.71 JAK1 (0.50) JAK2JAK3JAK1TYK2
SCHEMBL9920346 0.70 JAK1 (0.43) JAK2JAK3JAK1TYK2
SCHEMBL9920446 0.70 JAK2 (0.43) JAK2JAK3JAK1TYK2

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 MAP4K4 79/4885JAK2 2/4885JAK3 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.