SCHEMBL21758327

SCHEMBL21758327

CC(C)(C)OC(=O)N1Cc2nc(Cl)nc(NCCc3c[nH]c4ccccc34)c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
MTNR1A P48039 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
CDK2 P24941 1/20 0.41
GOT1 P17174 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PDPK1 O15530 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL29915620 0.93 MAPT (0.44) MAPTTHRBMTNR1AKMT2AMEN1
SCHEMBL21758323 0.93 MAPT (0.44) MAPTTHRBMTNR1AKMT2AMEN1
SCHEMBL29915677 0.93 MAPT (0.44) MAPTTHRBMTNR1AKMT2AMEN1
SCHEMBL21753162 0.93 MAPT (0.44) MAPTTHRBMTNR1AKMT2AMEN1
SCHEMBL29899173 0.93 MAPT (0.44) MAPTTHRBMTNR1AKMT2AMEN1
SCHEMBL25381862 0.88 MTNR1A (0.47) MAPTMTNR1AKMT2AMEN1LMNA
SCHEMBL23928083 0.84 GBA1 (0.57) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL21758747 0.84 ACHE (0.41) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL29915555 0.84 ACHE (0.41) MAPTTHRBKMT2AMEN1LMNA
SCHEMBL21758331 0.83 GBA1 (0.43) MAPTTHRBKMT2AMEN1LMNA

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 MAPT 4638/4885THRB 559/4885MTNR1A 63/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 MAPT 4638/4885THRB 559/4885MTNR1A 63/4885

“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.