SCHEMBL21704504

SCHEMBL21704504

COC(=O)c1c(C=O)nc(Cl)nc1-c1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.51
▸ ADORA2B P29275 1/20 0.44
▸ CFTR P13569 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.39
▸ AIP O00170 1/20 0.39
▸ SGTA O43765 1/20 0.39
▸ TOMM70 O94826 1/20 0.39
▸ STIP1 P31948 1/20 0.39
▸ PPP5C P53041 1/20 0.39
▸ FKBP4 Q02790 1/20 0.39
▸ FKBP5 Q13451 1/20 0.39
▸ FKBP8 Q14318 1/20 0.39
▸ TOMM34 Q15785 1/20 0.39
▸ DNAJC7 Q99615 1/20 0.39
▸ STUB1 Q9UNE7 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TRIM33 Q9UPN9 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38

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
SCHEMBL21704503 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1ADORA2BCFTRTDP1
SCHEMBL21704315 0.74 ADORA2B (0.59) HSP90AA1HSP90AB1ADORA2BTDP1L3MBTL1
SCHEMBL21704471 0.71 ADORA2B (0.58) HSP90AA1HSP90AB1ADORA2BTDP1L3MBTL1
SCHEMBL6167496 0.70 CFTR (0.55) HSP90AA1HSP90AB1ADORA2BCFTRTDP1
SCHEMBL23204450 0.68 ADORA2B (0.57) HSP90AA1HSP90AB1ADORA2BTDP1L3MBTL1
SCHEMBL29623513 0.68 ADORA2B (0.57) HSP90AA1HSP90AB1ADORA2BTDP1L3MBTL1
SCHEMBL2466944 0.68 CFTR (0.58) HSP90AA1HSP90AB1ADORA2BCFTRTDP1
SCHEMBL15064902 0.66 MAPT (0.47) TDP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15084267 0.65 KDM4E (0.46) HSP90AA1HSP90AB1TDP1L3MBTL1KDM4E
SCHEMBL21460575 0.65 TDP1 (0.46) HSP90AA1HSP90AB1ADORA2BTDP1L3MBTL1

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 HSP90AA1 4478/4885HSP90AB1 4463/4885ADORA2B 2/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 HSP90AA1 4478/4885HSP90AB1 4463/4885ADORA2B 2/4885

“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.

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