SCHEMBL23840672

SCHEMBL23840672

CC(C)(C)OC(=O)NCCc1ccc2cnccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 2/20 0.49
NQO2 P16083 1/20 0.46
LATS1 O95835 2/20 0.46
CYP3A4 P08684 1/20 0.46
TRPV1 Q8NER1 4/20 0.44
NAMPT P43490 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CES2 O00748 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP17A1 P05093 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
IGF1R P08069 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL30694698 1.00 PRMT3 (0.49) PRMT3NQO2LATS1CYP3A4TRPV1
SCHEMBL22504317 0.81 TRPV1 (0.43) PRMT3CYP3A4TRPV1HDAC3HDAC1
SCHEMBL23291125 0.80 PRMT3 (0.60) PRMT3TRPV1NAMPTHDAC3HDAC1
SCHEMBL2024124 0.80 CYP17A1 (0.53) NQO2LATS1CYP3A4NAMPTCA1
SCHEMBL30627587 0.80 NQO2 (0.47) PRMT3NQO2LATS1CYP3A4TRPV1
SCHEMBL30627557 0.80 NQO2 (0.47) PRMT3NQO2LATS1CYP3A4TRPV1
SCHEMBL13900839 0.80 NAMPT (0.53) NQO2CYP3A4NAMPTCA1CA2
SCHEMBL25176751 0.79 NQO2 (0.47) NQO2NAMPTCA1CA2CES2
SCHEMBL30369597 0.79 NQO2 (0.47) NQO2NAMPTCA1CA2CES2
SCHEMBL23291128 0.78 CYP17A1 (0.59) LATS1CYP3A4NAMPTCA1CA2

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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
CN-111164084-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-23 CN disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 US disclosed
CN-111164084-A Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2020-05-15 CN 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 PRMT3 2249/4885NQO2 2636/4885LATS1 3836/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 PRMT3 2249/4885NQO2 2636/4885LATS1 3836/4885

“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.