SCHEMBL21704556

SCHEMBL21704556

COC(=O)C1CO[C@H](Cc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 5/20 0.42
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCHE P06276 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL21704568 0.81 CACNA1G (0.38) CACNA1GBCHE
SCHEMBL9127247 0.69 CYP1A2 (0.35) ALDH1A1KMT2A
SCHEMBL9049418 0.69 CYP1A2 (0.35) ALDH1A1KMT2A
SCHEMBL25761556 0.69 CYP1A2 (0.35) ALDH1A1KMT2A
SCHEMBL2340243 0.68 ALDH1A1 (0.46) CACNA1GBACE1ALDH1A1MAPTHPGD
SCHEMBL9692649 0.67 BACE1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21494357 0.67 ALDH1A1 (0.49) ALDH1A1MAPTHPGDNPSR1HSD17B10
SCHEMBL27530381 0.67 FABP7 (0.43) ALDH1A1HPGDKMT2ACYP2C9CYP2C19
SCHEMBL6047373 0.67 MAOB (0.40)
SCHEMBL22279740 0.67 NAAA (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-07-20 US disclosed
US-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2020-02-13 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-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ADORA2A, ADORA2B, ADORA3 CACNA1G 4046/4885PSEN1 2836/4885PSEN2 1959/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 CACNA1G 4046/4885PSEN1 2836/4885PSEN2 1959/4885

“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.