SCHEMBL21758747

SCHEMBL21758747

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CTSL P07711 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GOT1 P17174 1/20 0.38
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL29915555 1.00 ACHE (0.41) ACHEBCHEMAPTTHRBCTSL
SCHEMBL21758323 0.90 MAPT (0.44) ACHEBCHEMAPTTHRBMEN1
SCHEMBL29899173 0.90 MAPT (0.44) ACHEBCHEMAPTTHRBMEN1
SCHEMBL23928090 0.89 HTR1A (0.43) ACHEBCHEMEN1KMT2AHTR1A
SCHEMBL21758748 0.85 GBA1 (0.39) ACHEBCHEMAPTTHRBCTSL
SCHEMBL29915594 0.85 GBA1 (0.39) ACHEBCHEMAPTTHRBCTSL
SCHEMBL21753194 0.84 GLA (0.48) ACHEBCHEMEN1LMNACYP1A2
SCHEMBL21758327 0.84 MAPT (0.43) ACHEBCHEMAPTTHRBMEN1
SCHEMBL25378084 0.84 CDK2 (0.45) ACHEBCHEMEN1KMT2AHTR1A
SCHEMBL21753162 0.83 MAPT (0.44) ACHEBCHEMAPTTHRBMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ACHE 4550/4885BCHE 3597/4885MAPT 4638/4885

“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.