SCHEMBL21758331

SCHEMBL21758331

CC(C)(C)OC(=O)N1Cc2nc(-c3cncc(F)c3)nc(NCCc3c[nH]c4ccccc34)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
MAPT P10636 5/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CDK4 P11802 5/20 0.40
CCND1 P24385 5/20 0.40
NAMPT P43490 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL30170882 0.94 GBA1 (0.42) GBA1MAPTTHRBMEN1KMT2A
SCHEMBL21758751 0.94 GBA1 (0.42) GBA1MAPTTHRBMEN1KMT2A
SCHEMBL21753229 0.94 GBA1 (0.42) GBA1MAPTTHRBMEN1KMT2A
SCHEMBL29915647 0.94 GBA1 (0.42) GBA1MAPTTHRBMEN1KMT2A
SCHEMBL25380557 0.90 CYP1A2 (0.41) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL29899164 0.90 CYP1A2 (0.41) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL23928083 0.89 GBA1 (0.57) GBA1MAPTTHRBMEN1KMT2A
SCHEMBL23991974 0.88 GBA1 (0.40) GBA1MAPTTHRBMEN1KMT2A
SCHEMBL21753198 0.87 PDE10A (0.39) MAPTTHRBMEN1KMT2ALMNA
SCHEMBL21753169 0.87 PDE10A (0.40) GBA1MAPTTHRB

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 GBA1 4716/4885MAPT 4638/4885THRB 559/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 GBA1 4716/4885MAPT 4638/4885THRB 559/4885

“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.