SCHEMBL21758808

SCHEMBL21758808

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MKNK1 Q9BUB5 5/20 0.38
MAPT P10636 2/20 0.36
ACHE P22303 2/20 0.36
THRB P10828 1/20 0.36
BCHE P06276 1/20 0.36
HTR6 P50406 2/20 0.36
MTOR P42345 1/20 0.36
PRKCI P41743 1/20 0.36
BRD3 Q15059 1/20 0.35
F12 P00748 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL21758348 0.94 MKNK1 (0.37) MKNK1MAPTACHETHRBBCHE
SCHEMBL21753195 0.94 NOTUM (0.42) PARP1TNKS2PARP2MKNK1MAPT
SCHEMBL26200405 0.90 MTNR1A (0.45) PARP1TNKS2PARP2MAPTACHE
SCHEMBL21758323 0.89 MAPT (0.44) PARP1TNKS2PARP2MAPTACHE
SCHEMBL29899173 0.89 MAPT (0.44) PARP1TNKS2PARP2MAPTACHE
SCHEMBL21758350 0.88 NOTUM (0.42) MAPTBRD3
SCHEMBL21758809 0.87 PRKCI (0.40) PARP1TNKS2PARP2MKNK1MAPT
SCHEMBL25380545 0.86 MAPT (0.49) MAPTACHEBCHE
SCHEMBL25381862 0.83 MTNR1A (0.47) MAPTACHEBCHE
SCHEMBL21753162 0.83 MAPT (0.44) MAPTACHETHRBBCHE

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 PARP1 325/4885TNKS2 941/4885PARP2 286/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 PARP1 325/4885TNKS2 941/4885PARP2 286/4885

“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.