SCHEMBL23828889

SCHEMBL23828889

O=C(O)NCCc1ccc(-c2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.55
FAAH O00519 1/20 0.50
CES1 P23141 1/20 0.50
P2RX7 Q99572 1/20 0.48
HIF1A Q16665 3/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM5A P29375 1/20 0.48
KDM5C P41229 1/20 0.48
KDM5B Q9UGL1 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL4252332 0.89 ASAH1 (0.55) HCAR2FAAHCES1
SCHEMBL2773101 0.85 HPGDS (0.56) HCAR2KDM4EALDH1A1SMN1; SMN2ROCK2
SCHEMBL23828900 0.83 RAB9A (0.49) HIF1AKDM4EKDM5AKDM5CKDM5B
SCHEMBL1728418 0.81 CNR1 (0.59) FAAHHIF1AGAAMEN1KMT2A
SCHEMBL2846480 0.81 HPGDS (0.52) HIF1ARAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4422174 0.80 AKT1 (0.53) HCAR2ALDH1A1
SCHEMBL30453099 0.80 AKT1 (0.53) HCAR2ALDH1A1
SCHEMBL5309049 0.80 FFAR1 (0.64) HCAR2FAAHCES1
SCHEMBL893594 0.79 HCAR2 (0.55) HCAR2FAAHCES1HIF1ARAB9A
SCHEMBL4247195 0.79 HDAC3 (0.44) HCAR2

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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 HCAR2 115/4885FAAH 1300/4885CES1 2189/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HCAR2 115/4885FAAH 1300/4885CES1 2189/4885

“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.