SCHEMBL9920395

SCHEMBL9920395

[C-]#[N+]c1c(Cl)nn2ccnc2c1NC1CCCCC1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.34
TAS1R1 Q7RTX1 5/20 0.34
TAS1R2 Q8TE23 4/20 0.34
ZAP70 P43403 1/20 0.32
SYK P43405 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
TSHR P16473 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
SCHEMBL9923407 0.80 PIK3CG (0.34) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9923406 0.79 ZAP70 (0.41) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920259 0.78 SYK (0.46) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920262 0.78 SYK (0.38) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920387 0.78 JAK3 (0.34) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920391 0.78 TAS1R3 (0.34) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920392 0.70 SYK (0.47) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920254 0.70 SYK (0.46) TAS1R3TAS1R1TAS1R2ZAP70SYK
SCHEMBL9920386 0.69
SCHEMBL9920385 0.68 CDK2 (0.43) ZAP70SYKJAK2JAK1JAK3

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 TAS1R3 2990/4885TAS1R1 1900/4885TAS1R2 2467/4885

“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.