SCHEMBL23979256

SCHEMBL23979256

C[C@H]1CN(C)CCN1Cc1ccc(-c2ncc(N3CCCC3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HRH3 Q9Y5N1 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
CHKA P35790 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TLR9 Q9NR96 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL21565486 0.80 CHKA (0.59) HRH3CHKAKDM4ELMNA
SCHEMBL23134869 0.80 SLC16A3 (0.44) ALDH1A1HRH3SIGMAR1KDM4EKCNH2
SCHEMBL21565588 0.80 SLC16A3 (0.44) ALDH1A1HRH3SIGMAR1KDM4EKCNH2
SCHEMBL21565572 0.77 SLC16A3 (0.61) KDM4EGAALMNAKCNH2
SCHEMBL23116321 0.77 SLC16A3 (0.61) KDM4EGAALMNAKCNH2
SCHEMBL23134807 0.76 HRH3 (0.44) HRH3
SCHEMBL30635453 0.75 ALDH1A1 (0.41) ALDH1A1HRH3
SCHEMBL21565483 0.74 MLNR (0.56) HRH3
SCHEMBL30361421 0.71 ALDH1A1 (0.60) ALDH1A1HRH3SIGMAR1KDM4EGAA
SCHEMBL28248487 0.71 SIGMAR1 (0.44) ALDH1A1HRH3SIGMAR1KDM4E

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 2 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

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 ALDH1A1 205/4885HRH3 2001/4885SIGMAR1 3480/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 ALDH1A1 205/4885HRH3 2001/4885SIGMAR1 3480/4885

“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.