SCHEMBL8226475

SCHEMBL8226475

Cn1nccc1-c1ccc(F)c(N2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
AKT1 P31749 8/20 0.41
AKT2 P31751 4/20 0.41
SGK1 O00141 2/20 0.41
RPS6KB1 P23443 2/20 0.41
PRKCQ Q04759 2/20 0.41
ROCK1 Q13464 2/20 0.41
RPS6KA1 Q15418 2/20 0.41
AKT3 Q9Y243 2/20 0.41
ROCK2 O75116 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40
OPRL1 P41146 1/20 0.39
PIK3CD O00329 2/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL29639915 0.75 KCNH2 (0.43) HTR7HTR1AHTR2BHTR6KCNH2
SCHEMBL8226116 0.75 KCNH2 (0.43) HTR7HTR1AHTR2BHTR6KCNH2
SCHEMBL30893581 0.74 RET (0.53) KCNH2
SCHEMBL8226241 0.74 NOTUM (0.56) HTR7HTR1AHTR2BHTR6KCNH2
SCHEMBL25183156 0.74 RET (0.53) KCNH2
SCHEMBL4909469 0.74 HTR7 (0.58) HTR7HTR1AHTR2BHTR6
SCHEMBL8221004 0.74 KMT2A (0.48) HTR7HTR1AHTR2BHTR6MAPT
SCHEMBL8229627 0.74 MAPT (0.47) HTR7HTR1AHTR2BHTR6OPRL1
SCHEMBL13344890 0.73 TTR (0.44) HTR7HTR1AHTR2BHTR6OPRL1
SCHEMBL4912614 0.73 CYP1A2 (0.55) HTR7HTR1AHTR2BHTR6

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-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 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 (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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HTR7 36/4885AKT1 951/4885AKT2 1046/4885

“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.