SCHEMBL21753163

SCHEMBL21753163

CN(C)S(=O)(=O)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.44
▸ MEN1 O00255 5/20 0.39
▸ LMNA P02545 5/20 0.39
▸ CYP1A2 P05177 5/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ CYP2D6 P10635 5/20 0.39
▸ CYP2C9 P11712 5/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ USP2 O75604 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ TP53 P04637 4/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ RECQL P46063 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
SCHEMBL31297717 1.00 GBA1 (0.44) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL21753176 0.92 GBA1 (0.46) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL31297706 0.92 GBA1 (0.46) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL21758677 0.87 GBA1 (0.48) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL31297726 0.87 GBA1 (0.48) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL21758334 0.87 GBA1 (0.47) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL29915610 0.86 GBA1 (0.43) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL21758309 0.86 GBA1 (0.43) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL21758307 0.86 GBA1 (0.44) GBA1MEN1LMNACYP1A2CYP3A4
SCHEMBL21758304 0.86 GBA1 (0.47) GBA1MEN1LMNACYP1A2CYP3A4

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 8 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
WO-2022149605-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SEVERE PULMONARY HYPERTENSION, REFRACTORY PULMONARY HYPERTENSION, OR DRUG-INDUCED PULMONARY HYPERTENSION 国立研究開発法人国立循環器病研究センター 2022-07-14 — — WO 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 GBA1 4716/4885MEN1 4731/4885LMNA 4390/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 GBA1 4716/4885MEN1 4731/4885LMNA 4390/4885

“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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