SCHEMBL9923397

SCHEMBL9923397

Cc1ccccc1Nc1c(C#N)cnn2cc(N=O)cc12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.39
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
EPHB3 P54753 1/20 0.35

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
SCHEMBL9923089 0.84 MAP2K1 (0.46) MAP2K1
SCHEMBL9923398 0.81 JAK3 (0.47) LMNAHTT
SCHEMBL12875307 0.81 MAPT (0.40) MAP2K1LMNAHTT
SCHEMBL9923311 0.79 PIK3CA (0.35) MAP2K1LMNA
SCHEMBL9923076 0.77 CSNK2A1 (0.36) MAP2K1LMNA
SCHEMBL9923090 0.73 JAK1 (0.43)
SCHEMBL9923309 0.72 CDK2 (0.33) EPHB3
SCHEMBL9923313 0.72 KDM4E (0.33)
SCHEMBL9923304 0.71 JAK1 (0.36) HTT
SCHEMBL9923264 0.71 JAK1 (0.36) HTT

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 MAP2K1 548/4885LMNA 4792/4885HTT 4733/4885

“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.