SCHEMBL23928215

SCHEMBL23928215

O=C(O)NCCc1ccc(NC(=O)CN2CCC(F)(F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
TSHR P16473 1/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
REV1 Q9UBZ9 1/20 0.45
ATM Q13315 2/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL23928218 0.86 NPC1 (0.60) HRH3TSHRKDM4EALDH1A1THRB
SCHEMBL23291330 0.85 NAMPT (0.55) HRH3KDM4EALDH1A1THRBMEN1
SCHEMBL23928225 0.84 ALDH1A1 (0.54) HRH3TSHRKDM4EALDH1A1THRB
SCHEMBL23928233 0.84 HRH3 (0.52) HRH3KDM4EALDH1A1THRBNPC1
SCHEMBL23928237 0.75 HRH3 (0.50) HRH3KDM4EMEN1KMT2AHTT
SCHEMBL19876843 0.75 CNR1 (0.50) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL13149712 0.75 ALDH1A1 (0.53) HRH3TSHRKDM4EALDH1A1THRB
SCHEMBL23291148 0.74 ALDH1A1 (0.63) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL16620097 0.73 NPC1 (0.56) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL23963284 0.72 ALDH1A1 (0.50) KDM4EALDH1A1TP53MEN1KMT2A

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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 HRH3 416/4885TSHR 63/4885KDM4E 3952/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HRH3 416/4885TSHR 63/4885KDM4E 3952/4885

“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.