SCHEMBL21753232

SCHEMBL21753232

Cn1nccc1C(=O)N1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK2 P19525 1/20 0.42
▸ HTR1A P08908 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ GPR18 Q14330 2/20 0.38
▸ 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
▸ CDK2 P24941 1/20 0.38
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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 0.86 GLA (0.48) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL25378084 0.85 CDK2 (0.45) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL21758438 0.85 BCHE (0.43) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL21758310 0.84 BCHE (0.42) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL21753175 0.84 GBA1 (0.42) EIF2AK2HTR1AHTR1BHTR2AHTR2C
SCHEMBL29899173 0.82 MAPT (0.44) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL21758323 0.82 MAPT (0.44) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL21758435 0.82 HTR1A (0.46) EIF2AK2HTR1AHTR2AGPR18MEN1
SCHEMBL23928090 0.81 HTR1A (0.43) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL21758747 0.80 ACHE (0.41) HTR1AHTR1BHTR2AHTR2CHTR2B

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
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
EP-3841102-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-06-30 — — EP disclosed
WO-2020039093-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2020-02-27 — — WO 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 EIF2AK2 1412/4885HTR1A 580/4885HTR1B 501/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 EIF2AK2 1412/4885HTR1A 580/4885HTR1B 501/4885

“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.

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