SCHEMBL21816619

SCHEMBL21816619

COc1cc(N2CCN(C)CC2)c(N)cc1OC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
PTK2B Q14289 1/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 2/20 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
SCHEMBL28423582 0.85 RAB9A (0.47) ALDH1A1MAPK1GAAMAPTHTT
SCHEMBL21816656 0.81 SIRT6 (0.51) KDM4EALDH1A1MAPK1GAAMAPT
SCHEMBL17059208 0.79 DRD2 (0.53) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL29930028 0.79 DRD2 (0.53) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL21816701 0.78 EGFR (0.54)
SCHEMBL28526640 0.76 KDM4E (0.45) KDM4EALDH1A1HSD17B10MAPK1GAA
SCHEMBL28547384 0.76 HTR4 (0.43) MEN1KMT2ASMN1; SMN2HTR1AHTR1B
SCHEMBL21816659 0.76 MEN1 (0.47) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL1911914 0.76 DRD2 (0.53) KDM4EALDH1A1HSD17B10DRD2DRD3
SCHEMBL14660997 0.76 KDM4E (0.44) KDM4EALDH1A1HSD17B10DRD2DRD3

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
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
CN-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 CN disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 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-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR KDM4E 2752/4885ALDH1A1 1646/4885HSD17B10 4189/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR KDM4E 2752/4885ALDH1A1 1646/4885HSD17B10 4189/4885

“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.