SCHEMBL21565604

SCHEMBL21565604

CN(C)C(=O)N1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
LTA4H P09960 1/20 0.42
MAP4K4 O95819 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
PANK3 Q9H999 1/20 0.41
SLC16A3 O15427 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHKA P35790 1/20 0.39
KDR P35968 2/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
ACVR1 Q04771 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL23134808 0.89 HRH3 (0.62) HRH3MAP4K4OPRM1OPRK1MEN1
SCHEMBL23979333 0.88 DRD4 (0.44) HRH3MAP4K4OPRM1OPRK1SLC16A3
SCHEMBL21565538 0.86 HRH3 (0.61) HRH3LTA4HMAP4K4OPRM1OPRK1
SCHEMBL21565624 0.83 HRH3 (0.53) HRH3OPRM1OPRK1SLC16A3L3MBTL1
SCHEMBL21565653 0.83 ALDH1A1 (0.47) HRH3MEN1KMT2ASLC16A3CHKA
SCHEMBL30229943 0.83 CHKA (0.54) HRH3SLC16A3CHKA
SCHEMBL21565500 0.83 CHKA (0.54) HRH3SLC16A3CHKA
SCHEMBL21565727 0.82 HRH3 (0.56) HRH3
SCHEMBL21565728 0.81 ROCK2 (0.49) HRH3OPRM1OPRK1MEN1KMT2A
SCHEMBL23979329 0.80 KDR (0.47) LTA4HMAP4K4OPRM1OPRK1SLC16A3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
EP-3790879-B1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2022-06-29 EP disclosed
US-20210340150-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 US disclosed
WO-2019215316-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2019-11-14 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-20210340150-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 HRH3 2001/4885LTA4H 1919/4885MAP4K4 490/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 HRH3 2001/4885LTA4H 1919/4885MAP4K4 490/4885

“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.