SCHEMBL9923406

SCHEMBL9923406

CC1CCCCC1Nc1c(C(=O)O)c(Cl)nn2ccnc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.41
SYK P43405 1/20 0.41
TAS1R3 Q7RTX0 14/20 0.40
TAS1R1 Q7RTX1 13/20 0.40
TAS1R2 Q8TE23 13/20 0.40
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TSHR P16473 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 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
SCHEMBL9920259 0.90 SYK (0.46) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9920262 0.86 SYK (0.38) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9920392 0.80 SYK (0.47) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9923291 0.80 JAK3 (0.42) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9920254 0.80 SYK (0.46) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9923407 0.79 PIK3CG (0.34) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9920395 0.79 TAS1R3 (0.34) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9920391 0.79 TAS1R3 (0.34) ZAP70SYKTAS1R3TAS1R1TAS1R2
SCHEMBL9920257 0.75 JAK3 (0.53) ZAP70SYKJAK3JAK2JAK1
SCHEMBL9920260 0.70 JAK3 (0.41) ZAP70SYKJAK3JAK2JAK1

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 ZAP70 20/4885SYK 85/4885TAS1R3 2990/4885

“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.