SCHEMBL29313534

SCHEMBL29313534

CC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](Cl)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.55
P2RY12 Q9H244 2/20 0.54
P2RY2 P41231 1/20 0.51
P2RY1 P47900 1/20 0.51
P2RY6 Q15077 1/20 0.51
ADORA1 P30542 3/20 0.51
ADORA3 P0DMS8 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
PMP22 Q01453 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.50
NPY1R P25929 1/20 0.50
HTT P42858 1/20 0.50
NPY2R P49146 1/20 0.50
RAB9A P51151 1/20 0.50
SLC29A1 Q99808 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL20483308 0.92 LMNA (0.60) ADORA1ADORA3LMNAALDH1A1GLA
SCHEMBL11992626 0.92 BMPR1B (0.62) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL17014896 0.92 BMPR1B (0.62) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL26347621 0.92 BMPR1B (0.62) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL25496185 0.89 BMPR1B (0.53) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL26297894 0.89 BMPR1B (0.53) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL29313494 0.89 BMPR1B (0.56) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL25765124 0.88 MEN1 (0.54) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL26553799 0.88 MEN1 (0.54) BMPR1BP2RY12P2RY2P2RY1P2RY6
SCHEMBL22930668 0.86 PRMT6 (0.52) BMPR1BP2RY12P2RY2P2RY1P2RY6

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-12036231-B2 Cyclic dinucleotides as agonists of stimulator of interferon gene dependent signalling BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 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-12036231-B2 Cyclic dinucleotides as agonists of stimulator of interferon gene dependent signalling STING1, IRF3, CGAS BMPR1B 3245/4885P2RY12 203/4885P2RY2 229/4885

“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.