SCHEMBL21758435

SCHEMBL21758435

CN1CCc2c(nc(Cl)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.46
▸ HTR2A P28223 6/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.45
▸ EIF2AK2 P19525 1/20 0.44
▸ DRD2 P14416 5/20 0.43
▸ HTR7 P34969 5/20 0.43
▸ HTR6 P50406 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL21758302 0.89 USP2 (0.44) HTR1AHTR2AALDH1A1HTTKDM4E
SCHEMBL21758301 0.87 USP2 (0.42) HTR1AHTR2AALDH1A1HTTKDM4E
SCHEMBL21753194 0.86 GLA (0.48) HTR1AHTR2AUSP2ALOX15KMT2A
SCHEMBL25378084 0.85 CDK2 (0.45) HTR1AHTR2AUSP2ALOX15KMT2A
SCHEMBL21753172 0.85 USP2 (0.43) HTTUSP2ALOX15KMT2APOLB
SCHEMBL21758438 0.85 BCHE (0.43) HTR1AHTR2AALDH1A1HTTKDM4E
SCHEMBL21758676 0.84 ABCC1 (0.44) HTR1AHTR2AHTTUSP2ALOX15
SCHEMBL21758310 0.84 BCHE (0.42) HTR1AHTR2AUSP2ALOX15KMT2A
SCHEMBL21758323 0.82 MAPT (0.44) HTR1AHTR2AKMT2ALMNAMEN1
SCHEMBL29899173 0.82 MAPT (0.44) HTR1AHTR2AKMT2ALMNAMEN1

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
CN-112739698-A Tetrahydropyrimidine derivatives as AHR modulators 捷豹治疗有限公司 2021-04-30 — — CN 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 HTR1A 580/4885HTR2A 526/4885ALDH1A1 128/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 HTR1A 580/4885HTR2A 526/4885ALDH1A1 128/4885

“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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