SCHEMBL21758445

SCHEMBL21758445

CC(C)(C)OC(=O)N1CCc2nc(-c3cncc(F)c3)nc(NCCc3nc4ccccc4[nH]3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.42
DGAT2 Q96PD7 2/20 0.41
PRKCI P41743 3/20 0.41
MTOR P42345 2/20 0.39
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.36
GBA1 P04062 1/20 0.36
F12 P00748 1/20 0.36

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
SCHEMBL21758753 0.95 PARP1 (0.42) PDE10ADGAT2PRKCIMTORPARP1
SCHEMBL21753229 0.86 GBA1 (0.42) PDE10APRKCIMTORGBA1
SCHEMBL29915647 0.86 GBA1 (0.42) PDE10APRKCIMTORGBA1
SCHEMBL21753160 0.83 PARP1 (0.42) PDE10ADGAT2PRKCIMTORPARP1
SCHEMBL29899110 0.83 PRKCI (0.39) PDE10APRKCIMTORPARP1TNKS2
SCHEMBL21753198 0.82 PDE10A (0.39) PDE10APRKCIMTOR
SCHEMBL30170882 0.82 GBA1 (0.42) PDE10APRKCIMTORPARP1TNKS2
SCHEMBL21758751 0.82 GBA1 (0.42) PDE10APRKCIMTORPARP1TNKS2
SCHEMBL21753169 0.82 PDE10A (0.40) PDE10APRKCIMTORGBA1
SCHEMBL21758331 0.79 GBA1 (0.43) MAPK1GBA1

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 5 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
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US disclosed
US-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-10-28 US disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 WO 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 (2 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-20210332041-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS AHR, ARNT, NQO1 PDE10A 3794/4885DGAT2 2466/4885PRKCI 3279/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 PDE10A 3794/4885DGAT2 2466/4885PRKCI 3279/4885

“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.