SCHEMBL21758323

SCHEMBL21758323

CC(C)(C)OC(=O)N1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
BCHE P06276 3/20 0.41
ACHE P22303 3/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL29899173 1.00 MAPT (0.44) MAPTTHRBPARP1TNKS2PARP2
SCHEMBL29915620 0.94 MAPT (0.44) MAPTTHRBBCHEACHEHTR1A
SCHEMBL21753162 0.94 MAPT (0.44) MAPTTHRBBCHEACHEHTR1A
SCHEMBL29915677 0.94 MAPT (0.44) MAPTTHRBBCHEACHEHTR1A
SCHEMBL21758327 0.93 MAPT (0.43) MAPTTHRBBCHEACHEHTR1A
SCHEMBL21758747 0.90 ACHE (0.41) MAPTTHRBBCHEACHEHTR1A
SCHEMBL29915555 0.90 ACHE (0.41) MAPTTHRBBCHEACHEHTR1A
SCHEMBL21753195 0.89 NOTUM (0.42) MAPTPARP1TNKS2PARP2HTR1A
SCHEMBL21758808 0.89 PARP1 (0.38) MAPTTHRBPARP1TNKS2PARP2
SCHEMBL26200405 0.89 MTNR1A (0.45) MAPTPARP1TNKS2PARP2BCHE

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 7 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
US-20230279000-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-09-07 US disclosed
US-20230279000-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING JAGUAHR THERAPEUTICS PTE LTD (SG) 2023-09-07 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 (3 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 MAPT 4638/4885THRB 559/4885PARP1 325/4885
US-20230279000-A1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL IN MODULATION OF AHR SIGNALLING AHR, ARNT, PAH MAPT 4492/4885THRB 674/4885PARP1 771/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 MAPT 4638/4885THRB 559/4885PARP1 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.