SCHEMBL23928112

SCHEMBL23928112

O=C(O)NCCc1ccc(NC(=O)Cc2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
NAMPT P43490 3/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL334426 0.83 SMN1; SMN2 (0.63) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL23928197 0.82 GAA (0.63) RAB9ASMN1; SMN2NPC1KDM4EROCK2
SCHEMBL23291267 0.81 CYP17A1 (0.57) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL23928143 0.81 CA1 (0.63) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL16620097 0.79 NPC1 (0.56) RAB9ASMN1; SMN2NPC1KDM4ELMNA
SCHEMBL19876843 0.78 CNR1 (0.50) RAB9ASMN1; SMN2NPC1HDAC3HDAC4
SCHEMBL23828908 0.77 ROCK2 (0.62) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL13528797 0.77 EPHX2 (0.67) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL19827071 0.77 MEN1 (0.73) RAB9ASMN1; SMN2NPC1CA1CA2
Hydrochloric Acid SCHEMBL6621128 0.76 ADRB3 (0.77) ADRB1ADRB3

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 RAB9A 2869/4885SMN1; SMN2 4178/4885NPC1 1520/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 RAB9A 2869/4885SMN1; SMN2 4178/4885NPC1 1520/4885

“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.