SCHEMBL23928197

SCHEMBL23928197

O=C(O)NCCc1ccc(NC(=O)c2ccncc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
RAB9A P51151 2/20 0.62
NAMPT P43490 7/20 0.58
HTT P42858 1/20 0.58
NPC1 O15118 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.55
ROCK2 O75116 1/20 0.54
ROCK1 Q13464 1/20 0.54
KDM4E B2RXH2 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
JAK2 O60674 1/20 0.54
TYK2 P29597 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KMT2A Q03164 1/20 0.51

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
SCHEMBL15650955 0.83 MEN1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EHDAC2
SCHEMBL8866646 0.82 GAA (0.71) GAANAMPTHTTSMN1; SMN2MAPK1
SCHEMBL8866653 0.82 GAA (0.71) GAANAMPTHTTMAPK1KDM4E
SCHEMBL23928112 0.82 RAB9A (0.61) GAARAB9ANAMPTNPC1SMN1; SMN2
SCHEMBL334426 0.81 SMN1; SMN2 (0.63) RAB9ANAMPTHTTNPC1SMN1; SMN2
SCHEMBL7574135 0.81 MAPT (0.67) GAARAB9ANAMPTHTTNPC1
SCHEMBL23291281 0.81 NAMPT (0.56) GAARAB9ANAMPTHTTNPC1
SCHEMBL23291297 0.81 GAA (0.69) GAANAMPTHTTMAPK1KDM4E
SCHEMBL9798362 0.80 GAA (0.79) GAARAB9AHTTNPC1SMN1; SMN2
SCHEMBL1439066 0.79 NAMPT (0.67) GAANAMPTHTTSMN1; SMN2KDM4E

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 3 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
CN-115232030-A Aryl urea compound and preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-10-25 CN 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 GAA 4192/4885RAB9A 2869/4885NAMPT 1862/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 GAA 4192/4885RAB9A 2869/4885NAMPT 1862/4885

“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.