SCHEMBL21565602

SCHEMBL21565602

COCCN1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
SLC16A3 O15427 1/20 0.43
MAP4K4 O95819 2/20 0.41
MCHR1 Q99705 2/20 0.41
MAP3K7 O43318 1/20 0.40
ACHE P22303 1/20 0.40
RAD52 P43351 1/20 0.40
CHKA P35790 2/20 0.39
RET P07949 1/20 0.39
FURIN P09958 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE1B Q01064 1/20 0.38
HRH4 Q9H3N8 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
SCHEMBL21565500 0.87 CHKA (0.54) HRH3SLC16A3CHKAHRH4
SCHEMBL30229943 0.87 CHKA (0.54) HRH3SLC16A3CHKAHRH4
SCHEMBL21565624 0.85 HRH3 (0.53) HRH3SLC16A3ACHEKCNH2HRH4
SCHEMBL21565728 0.85 ROCK2 (0.49) HRH3SLC16A3CHKAHRH4
SCHEMBL21565653 0.84 ALDH1A1 (0.47) HRH3SLC16A3CHKAKCNH2HRH4
SCHEMBL21565727 0.84 HRH3 (0.56) HRH3ACHEHRH4
SCHEMBL21565737 0.84 CHKA (0.60) HRH3SLC16A3CHKA
SCHEMBL23134809 0.81 SLC16A3 (0.44) HRH3SLC16A3CHKAKCNH2HRH4
SCHEMBL21565731 0.81 SLC16A3 (0.44) HRH3SLC16A3CHKAKCNH2HRH4
SCHEMBL23134796 0.81 SLC16A3 (0.44) HRH3SLC16A3CHKAKCNH2HRH4

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 2001/4885SLC16A3 3/4885MAP4K4 490/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 HRH3 2001/4885SLC16A3 3/4885MAP4K4 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.