SCHEMBL21565573

SCHEMBL21565573

COc1cc(CN2CCN(C)CC2)ccc1-c1ncc(N2CCCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHKA P35790 3/20 0.45
CHEK1 O14757 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAP4K1 Q92918 1/20 0.43
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
NTRK2 Q16620 1/20 0.42
FGFR3 P22607 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL21565481 0.85 CHKA (0.45) CHKAKDM4E
SCHEMBL21565502 0.80 TGFBR1 (0.44) DRD2DRD4DRD3TGFBR1ACVR1
SCHEMBL21565486 0.79 CHKA (0.59) CHKAKDM4E
SCHEMBL21565590 0.78 TGFBR1 (0.45) TGFBR1ACVR1ALDH1A1CHKACHEK1
SCHEMBL21550472 0.73 HTT (0.56) TGFBR1ACVR1ALDH1A1CHKA
SCHEMBL21565650 0.72 HRH3 (0.45) ALDH1A1MAPTCHKA
SCHEMBL1911878 0.72 CRHBP (0.55) TGFBR1ACVR1ALDH1A1SMN1; SMN2CHKA
SCHEMBL21565496 0.72 CHKA (0.59) DRD2DRD4DRD3CHKA
SCHEMBL2948792 0.71 ABCB1 (0.53) TGFBR1ACVR1CHKACHEK1KDM4E
SCHEMBL9996727 0.71 KDM4E (0.64) ALDH1A1NPSR1MAPTKDM4E

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 DRD2 3941/4885DRD4 2895/4885DRD3 4268/4885
US-20240217980-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE IN TREATING CANCER ABCC4, ABCB1, SLC16A3 DRD2 3941/4885DRD4 2895/4885DRD3 4268/4885

“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.