SCHEMBL23855522

SCHEMBL23855522

c1cc(N2CCNCC2)ccc1OCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ KCNH2 Q12809 2/20 0.65
▸ HTR2A P28223 2/20 0.65
▸ SIGMAR1 Q99720 2/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ SCN1A P35498 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ SCN2A Q99250 1/20 0.65
▸ SCN3A Q9NY46 1/20 0.65
▸ USP2 O75604 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ HRH1 P35367 3/20 0.60
▸ HRH2 P25021 2/20 0.60
▸ HTR1A P08908 1/20 0.54
▸ DRD2 P14416 1/20 0.54
▸ DRD3 P35462 1/20 0.54

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
SCHEMBL21659595 0.93 NPC1 (0.58) HRH3MAPK1KCNH2HTR2ASIGMAR1
SCHEMBL3580274 0.89 HRH3 (0.78) HRH3KCNH2HTR2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL3569842 0.87 HRH3 (0.76) HRH3KCNH2HTR2ASIGMAR1ALDH1A1
SCHEMBL13437926 0.87 HRH3 (0.81) HRH3KCNH2ALDH1A1HRH1HRH2
SCHEMBL3573919 0.87 HRH3 (0.81) HRH3KCNH2ALDH1A1HRH1HRH2
SCHEMBL3584179 0.87 HRH3 (0.81) HRH3KCNH2ALDH1A1HRH1HRH2
SCHEMBL21659286 0.86 HRH3 (0.66) HRH3KCNH2HTR2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL3581472 0.86 HRH3 (0.78) HRH3KCNH2ALDH1A1HRH1HRH2
Hydrochloric Acid SCHEMBL23855511 0.85 HRH3 (0.64) HRH3MAPK1KCNH2HTR2ASIGMAR1
SCHEMBL3576424 0.84 HRH3 (0.79) HRH3KCNH2HTR2ASIGMAR1ALDH1A1

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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-09-30 — — US disclosed
CN-112469722-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-03-09 — — CN 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 (1 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-20210300936-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B HRH3 673/4885MAPK1 3717/4885KCNH2 1642/4885

“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.

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