SCHEMBL21758809

SCHEMBL21758809

CC(C)(C)OC(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3cc(F)ccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.40
MTOR P42345 2/20 0.39
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MKNK1 Q9BUB5 3/20 0.35
SLC34A1 Q06495 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PDE10A Q9Y233 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
HPGDS O60760 1/20 0.34
GBA1 P04062 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL21753169 0.95 PDE10A (0.40) PRKCIMTORMKNK1SLC34A1MAPT
SCHEMBL21753228 0.95 PRKCI (0.40) PRKCIMTORPARP1TNKS2PARP2
SCHEMBL21758751 0.93 GBA1 (0.42) PRKCIMTORPARP1TNKS2PARP2
SCHEMBL30170882 0.93 GBA1 (0.42) PRKCIMTORPARP1TNKS2PARP2
SCHEMBL25380399 0.90 CYP1A2 (0.46) MAPT
SCHEMBL29899098 0.90 CYP1A2 (0.46) MAPT
SCHEMBL21753198 0.89 PDE10A (0.39) PRKCIMTORMAPTTHRBPDE10A
SCHEMBL21753229 0.88 GBA1 (0.42) PRKCIMTORMAPTTHRBPDE10A
SCHEMBL29915647 0.88 GBA1 (0.42) PRKCIMTORMAPTTHRBPDE10A
SCHEMBL25380557 0.87 CYP1A2 (0.41) MAPT

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 PRKCI 3279/4885MTOR 3013/4885PARP1 325/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 PRKCI 3279/4885MTOR 3013/4885PARP1 325/4885

“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.