SCHEMBL21565728

SCHEMBL21565728

OCCN1CCN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.49
ROCK1 Q13464 3/20 0.49
ALDH1A1 P00352 1/20 0.44
GAA P10253 2/20 0.44
SLC16A3 O15427 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
PKM P14618 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
MAP3K9 P80192 1/20 0.40
MAP3K11 Q16584 1/20 0.40
CNR2 P34972 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL21565624 0.88 HRH3 (0.53) ALDH1A1SLC16A3HRH3OPRM1OPRK1
SCHEMBL21565500 0.88 CHKA (0.54) SLC16A3HRH3HRH4CHKA
SCHEMBL30229943 0.88 CHKA (0.54) SLC16A3HRH3HRH4CHKA
SCHEMBL21565727 0.87 HRH3 (0.56) ALDH1A1HRH3HRH4CNR2CYP2C19
SCHEMBL21565653 0.85 ALDH1A1 (0.47) ALDH1A1GAASLC16A3MEN1KMT2A
SCHEMBL21565602 0.85 HRH3 (0.43) SLC16A3HRH3HRH4CHKA
SCHEMBL21565737 0.84 CHKA (0.60) SLC16A3HRH3CHKA
SCHEMBL21565515 0.83 HRH3 (0.48) SLC16A3HRH3HRH4
SCHEMBL21565527 0.82 HRH3 (0.57) MEN1KMT2AHRH3HRH4CNR2
SCHEMBL21565734 0.82 CXCR4 (0.48) ROCK2ROCK1MEN1KMT2AHRH3

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 5 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
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 ROCK2 2338/4885ROCK1 2339/4885ALDH1A1 205/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 ROCK2 2338/4885ROCK1 2339/4885ALDH1A1 205/4885

“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.