SCHEMBL9923326

SCHEMBL9923326

CC1CCCCC1Nc1c(C(=O)O)cnn2c(C(=O)O)nnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
JAK3 P52333 3/20 0.40
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
FPR1 P21462 1/20 0.34
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 4/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9920405 0.84 JAK3 (0.36) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9923426 0.84 TSHR (0.38) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9920411 0.83 JAK3 (0.35) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9923341 0.81 JAK3 (0.40) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9923349 0.79 JAK3 (0.43) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9920255 0.78 JAK3 (0.52) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9920409 0.78 JAK3 (0.52) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9923291 0.78 JAK3 (0.42) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9923283 0.77 JAK3 (0.41) TSHRMAPTHSD17B10MEN1MAPK1
SCHEMBL9923043 0.77 JAK3 (0.43) TSHRMAPTHSD17B10MEN1MAPK1

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 TSHR 2870/4885MAPT 4022/4885HSD17B10 2734/4885

“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.