SCHEMBL9923398

SCHEMBL9923398

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.47
JAK1 P23458 15/20 0.47
JAK2 O60674 12/20 0.47
TYK2 P29597 12/20 0.47
CSF1R P07333 1/20 0.46
KCNH2 Q12809 2/20 0.44
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9920277 0.86 JAK3 (0.50) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL9923284 0.84 JAK1 (0.51) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL9920279 0.81 JAK1 (0.46) JAK3JAK1JAK2TYK2CSF1R
SCHEMBL9923397 0.81 MAP2K1 (0.39) LMNAHTT
SCHEMBL9920282 0.80 JAK2 (0.58) JAK3JAK1JAK2TYK2
SCHEMBL9923079 0.78 CSF1R (0.45) CSF1RLMNA
SCHEMBL9920270 0.75 CSF1R (0.48) CSF1RLMNA
SCHEMBL9923075 0.74 CSF1R (0.47) TYK2CSF1RLMNA
SCHEMBL9923091 0.73 JAK1 (0.67) JAK3JAK1JAK2TYK2
SCHEMBL9923312 0.71 JAK3 (0.51) JAK3JAK1JAK2TYK2KCNH2

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 JAK3 3/4885JAK1 1/4885JAK2 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.