SCHEMBL9923315

SCHEMBL9923315

CC1CCN(Cc2ccccc2)CC1N(C)c1c(C#N)cnn2cccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
RET P07949 14/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ACHE P22303 1/20 0.38
CHRM4 P08173 2/20 0.37

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
SCHEMBL9898496 1.00 JAK1 (0.47) JAK1TYK2JAK2JAK3RET
SCHEMBL9920436 0.84 JAK1 (0.45) JAK1TYK2JAK2JAK3ACHE
SCHEMBL9920321 0.84 JAK1 (0.45) JAK1TYK2JAK2JAK3ACHE
SCHEMBL9923340 0.84 JAK3 (0.45) JAK1TYK2JAK2JAK3ACHE
SCHEMBL9920438 0.83 JAK2 (0.46) JAK1TYK2JAK2JAK3
SCHEMBL9920437 0.81 JAK2 (0.50) JAK1TYK2JAK2JAK3ACHE
SCHEMBL12395231 0.79 JAK3 (0.60) JAK1TYK2JAK2JAK3ACHE
SCHEMBL1160347 0.79 JAK1 (0.47) JAK1TYK2RETNOS3NOS1
SCHEMBL29713716 0.75 JAK2 (0.44) JAK1TYK2JAK2JAK3CHRM4
SCHEMBL22436121 0.75 JAK2 (0.44) JAK1TYK2JAK2JAK3CHRM4

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 2 patents. 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
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO 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 10/4885JAK2 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.