SCHEMBL23134809

SCHEMBL23134809

C[C@@H]1CN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CCN1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.44
MLNR O43193 1/20 0.41
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 9/20 0.39
IDH1 O75874 1/20 0.39
CNR2 P34972 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHKA P35790 2/20 0.36
MGLL Q99685 1/20 0.35
HRH4 Q9H3N8 2/20 0.35

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
SCHEMBL21565731 1.00 SLC16A3 (0.44) SLC16A3MLNRKCNH2ALDH1A1SMN1; SMN2
SCHEMBL23134796 1.00 SLC16A3 (0.44) SLC16A3MLNRKCNH2ALDH1A1SMN1; SMN2
SCHEMBL25038906 0.89 SLC16A3 (0.43) SLC16A3MLNRKCNH2HRH3CNR2
SCHEMBL23134815 0.89 SLC16A3 (0.43) SLC16A3MLNRKCNH2HRH3CNR2
SCHEMBL21565584 0.84 SLC16A3 (0.40) SLC16A3MLNRKCNH2ALDH1A1HRH3
SCHEMBL23134890 0.84 SLC16A3 (0.40) SLC16A3MLNRKCNH2ALDH1A1HRH3
SCHEMBL21565500 0.83 CHKA (0.54) SLC16A3HRH3CHKAHRH4
SCHEMBL30229943 0.83 CHKA (0.54) SLC16A3HRH3CHKAHRH4
SCHEMBL21565598 0.82 MLNR (0.48) SLC16A3MLNRKCNH2HRH3CNR2
SCHEMBL23134206 0.82 MLNR (0.48) SLC16A3MLNRKCNH2HRH3CNR2

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
US-20210340150-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-11-04 US disclosed
US-11084827-B2 Triazolopyrimidine compounds and their use in treating cancer DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20210087196-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2021-03-25 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 (4 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-11084827-B2 Triazolopyrimidine compounds and their use in treating cancer ABCC4, ABCB1, SLC16A3 SLC16A3 3/4885MLNR 1283/4885KCNH2 410/4885
US-20210087196-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 SLC16A3 3/4885MLNR 1283/4885KCNH2 410/4885
US-20210340150-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 SLC16A3 3/4885MLNR 1283/4885KCNH2 410/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 SLC16A3 3/4885MLNR 1283/4885KCNH2 410/4885

“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.