SCHEMBL21758438

SCHEMBL21758438

CNC(=O)N1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 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
▸ HTR1A P08908 2/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ GOT1 P17174 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL21753194 0.91 GLA (0.48) BCHEACHEKMT2AMEN1LMNA
SCHEMBL25378084 0.91 CDK2 (0.45) BCHEACHEKMT2AMEN1CDK2
SCHEMBL21758310 0.89 BCHE (0.42) BCHEACHEKMT2AMEN1LMNA
SCHEMBL21758323 0.87 MAPT (0.44) BCHEACHEKMT2AMEN1LMNA
SCHEMBL29899173 0.87 MAPT (0.44) BCHEACHEKMT2AMEN1LMNA
SCHEMBL23928090 0.86 HTR1A (0.43) BCHEACHEKMT2AMEN1CDK2
SCHEMBL21753232 0.85 EIF2AK2 (0.42) BCHEACHEKMT2AMEN1LMNA
SCHEMBL21758435 0.85 HTR1A (0.46) KMT2AMEN1LMNAHTR1AHTR2A
SCHEMBL21758301 0.83 USP2 (0.42) KMT2AMEN1LMNAHTR1AHTR2A
SCHEMBL21758302 0.83 USP2 (0.44) KMT2AMEN1LMNAHTR1AHTR2A

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 BCHE 3597/4885ACHE 4550/4885KMT2A 890/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 BCHE 3597/4885ACHE 4550/4885KMT2A 890/4885

“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.

Send feedback