SCHEMBL29915591

SCHEMBL29915591

CC(C)(C)OC(=O)N1CCc2nc(-c3cccnc3)nc(NCCc3c[nH]c4ccccc34)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.55
PDE10A Q9Y233 9/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
CFTR P13569 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL21758743 1.00 GBA1 (0.55) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL21758443 0.94 GBA1 (0.55) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL23928083 0.94 GBA1 (0.57) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL21753164 0.90 MAPT (0.44) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL29915511 0.90 MAPT (0.44) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL21753207 0.90 GBA1 (0.42) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL23928091 0.90 GBA1 (0.63) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL21753229 0.90 GBA1 (0.42) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL29915647 0.90 GBA1 (0.42) GBA1PDE10AMEN1KMT2AUSP2
SCHEMBL21753162 0.85 MAPT (0.44) MEN1KMT2ACYP1A2CYP2C19LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators JAGUAHR THERAPEUTICS PTE LTD (SG) 2025-02-11 US disclosed
EP-3841102-B1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2022-09-14 EP 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-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 GBA1 4716/4885PDE10A 3794/4885MEN1 4731/4885

“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.