SCHEMBL21753209

SCHEMBL21753209

Clc1cncc(-c2nc3c(c(NCCc4c[nH]c5ccccc45)n2)CCNC3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
USP2 O75604 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PAK4 O96013 10/20 0.42
ALOX15 P16050 1/20 0.41
HTR6 P50406 1/20 0.41
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL21753173 0.93 GBA1 (0.53) GBA1USP2KMT2ALMNAMEN1
SCHEMBL31297683 0.93 GBA1 (0.53) GBA1USP2KMT2ALMNAMEN1
SCHEMBL21753285 0.91 GBA1 (0.50) GBA1USP2KMT2ALMNAMEN1
SCHEMBL29915604 0.91 GBA1 (0.50) GBA1USP2KMT2ALMNAMEN1
SCHEMBL23928087 0.91 GBA1 (0.50) GBA1USP2KMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL30170922 0.90 GBA1 (0.49) GBA1USP2KMT2ALMNAMEN1
SCHEMBL31297701 0.89 GBA1 (0.49) GBA1USP2KMT2ALMNAMEN1
SCHEMBL21753171 0.89 GBA1 (0.49) GBA1USP2KMT2ALMNAMEN1
SCHEMBL25379485 0.89 GBA1 (0.48) GBA1USP2KMT2ALMNAMEN1
SCHEMBL25381828 0.89 CYP1A2 (0.51) GBA1USP2KMT2ALMNAMEN1

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 claimed
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
EP-3841102-A1 TETRAHYDROPYRIDOPYRIMIDINE DERIVATIVES AS AHR MODULATORS JAGUAHR THERAPEUTICS PTE LTD (SG) 2021-06-30 EP 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
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 4716/4885USP2 2372/4885KMT2A 890/4885
US-12221439-B2 Tetrahydropyridopyrimidine derivatives as AhR modulators AHR, ARNT, NQO1 GBA1 4716/4885USP2 2372/4885KMT2A 890/4885

“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.