SCHEMBL23979333

SCHEMBL23979333

CN(C)C(=O)CN1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.44
MAP4K4 O95819 1/20 0.43
AKT1 P31749 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 4/20 0.41
SLC16A3 O15427 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SLC27A1 Q6PCB7 1/20 0.40
LRRK2 Q5S007 1/20 0.40
RET P07949 2/20 0.40
KCNH2 Q12809 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
ACVR1 Q04771 1/20 0.38
CNR2 P34972 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
SCHEMBL21565604 0.88 HRH3 (0.47) MAP4K4OPRM1OPRK1HRH3SLC16A3
SCHEMBL23134808 0.84 HRH3 (0.62) MAP4K4OPRM1OPRK1HRH3SLC16A3
SCHEMBL21565624 0.83 HRH3 (0.53) OPRM1OPRK1HRH3SLC16A3KDM4E
SCHEMBL21565653 0.82 ALDH1A1 (0.47) HRH3SLC16A3KDM4ENPC1RAB9A
SCHEMBL30229943 0.82 CHKA (0.54) HRH3SLC16A3KDM4ELMNA
SCHEMBL21565500 0.82 CHKA (0.54) HRH3SLC16A3KDM4ELMNA
SCHEMBL21565727 0.81 HRH3 (0.56) HRH3KDM4ECNR2
SCHEMBL21565538 0.81 HRH3 (0.61) MAP4K4OPRM1OPRK1HRH3ACVR1
SCHEMBL21565484 0.81 DRD4 (0.46) DRD4MAP4K4AKT1OPRM1OPRK1
SCHEMBL21565728 0.80 ROCK2 (0.49) OPRM1OPRK1HRH3SLC16A3NPC1

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 3 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-4134368-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-02-15 EP disclosed
US-20210340150-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 US 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 DRD4 2895/4885MAP4K4 490/4885AKT1 3241/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 DRD4 2895/4885MAP4K4 490/4885AKT1 3241/4885

“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.