SCHEMBL9920397

SCHEMBL9920397

[C-]#[N+]c1cnn2cnnc2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 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
SCHEMBL9920371 0.69
SCHEMBL9920417 0.62
SCHEMBL9920380 0.58
SCHEMBL12395153 0.54 KDM4E (0.33) HTTKDM4EMAPT
SCHEMBL7865427 0.52 KDM4E (0.32) KDM4E
SCHEMBL6340126 0.51
SCHEMBL15953801 0.51 KDM4E (0.33) HTTKDM4E
SCHEMBL12395322 0.51 KDM4E (0.34) HTTKDM4EMAPT
SCHEMBL23176240 0.50 KDM4E (0.46) KDM4EMAPT
SCHEMBL12197945 0.50 KMT2A (0.33) HTTMAPT

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 HTT 4733/4885KDM4E 449/4885MAPT 4022/4885

“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.