SCHEMBL9920403

SCHEMBL9920403

[C-]#[N+]c1cnn2c(C(=O)OCC)nnc2c1NC1CCCCC1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.37
PDE4B Q07343 2/20 0.37
TSHR P16473 3/20 0.36
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.34
CSNK1D P48730 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 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 0.86 JAK3 (0.36) TSHRHSD17B10MEN1MAPTMAPK1
SCHEMBL9923327 0.83 KDM4E (0.45) PDE4BTSHRHSD17B10MEN1MAPT
SCHEMBL9920367 0.81 TSHR (0.44) OPRK1PDE4BTSHRMEN1KMT2A
SCHEMBL9920400 0.77 TSHR (0.33) TSHRHSD17B10MEN1MAPTMAPK1
SCHEMBL9920406 0.76 KDM4E (0.42) HSD17B10MEN1MAPTHTTKMT2A
SCHEMBL9920407 0.76 KDM4E (0.42) TSHRHSD17B10MAPTHTTKDM4E
SCHEMBL9920432 0.71 TSHR (0.34) TSHRHSD17B10MEN1MAPTMAPK1
SCHEMBL9920404 0.71 JAK2 (0.32) TSHRHSD17B10MEN1MAPTMAPK1
SCHEMBL9923326 0.71 TSHR (0.42) TSHRHSD17B10MEN1MAPTMAPK1
SCHEMBL9920322 0.70 TSHR (0.35) TSHRHSD17B10MEN1MAPTMAPK1

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 OPRK1 2835/4885PDE4B 2524/4885TSHR 2870/4885

“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.