SCHEMBL21758303

SCHEMBL21758303

CC(C)N1CCc2c(nc(-c3cncc(F)c3)nc2NCCc2c[nH]c3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.47
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ USP2 O75604 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ PAK4 O96013 4/20 0.39
▸ AHR P35869 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL31297734 1.00 GBA1 (0.47) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL31297726 0.91 GBA1 (0.48) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL21758677 0.91 GBA1 (0.48) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL21758304 0.89 GBA1 (0.47) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL21753176 0.88 GBA1 (0.46) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL31297706 0.88 GBA1 (0.46) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL31297719 0.87 GBA1 (0.45) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL21758434 0.87 GBA1 (0.45) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL21758309 0.87 GBA1 (0.43) GBA1KMT2AMEN1LMNAUSP2
SCHEMBL29915610 0.87 GBA1 (0.43) GBA1KMT2AMEN1LMNAUSP2

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 6 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
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 GBA1 4716/4885KMT2A 890/4885MEN1 4731/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 GBA1 4716/4885KMT2A 890/4885MEN1 4731/4885

“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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