SCHEMBL23928119

SCHEMBL23928119

NCCc1ccc(NCCc2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
HRH1 P35367 2/20 0.59
CYP1A2 P05177 2/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.46
APP P05067 2/20 0.45
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 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
SCHEMBL30428084 1.00 NPC1 (0.59) NPC1RAB9AHRH1CYP1A2MAOA
SCHEMBL23963159 0.86 MAOA (0.71) NPC1RAB9AHRH1CYP1A2MAOA
SCHEMBL4842263 0.86 MAOA (0.71) NPC1RAB9AHRH1CYP1A2MAOA
Hydrochloric Acid SCHEMBL4843995 0.84 MAOA (0.69) NPC1RAB9AHRH1CYP1A2MAOA
SCHEMBL3826771 0.82 CYP1A2 (0.68) NPC1RAB9AHRH1CYP1A2MAOA
SCHEMBL31705591 0.82 CYP1A2 (0.68) NPC1RAB9AHRH1CYP1A2MAOA
Hydrochloric Acid SCHEMBL31202578 0.80 NPC1 (0.69) NPC1RAB9AHRH1CYP1A2MAOA
SCHEMBL12994650 0.80 NPC1 (0.68) NPC1RAB9ACYP1A2MAOAMAOB
SCHEMBL7367694 0.79 CYP1A2 (0.64) NPC1RAB9AHRH1CYP1A2MAOA
SCHEMBL7084144 0.77 RAB9A (0.54) NPC1RAB9ACYP1A2MAOAMAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814356-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2026-03-11 EP disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
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
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 NPC1 1520/4885RAB9A 2869/4885HRH1 393/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 NPC1 1520/4885RAB9A 2869/4885HRH1 393/4885

“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.