SCHEMBL8226159

SCHEMBL8226159

Cc1c[nH]c(-c2ccc(F)c(N3CCNCC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.43
HTR1A P08908 7/20 0.40
HTR6 P50406 5/20 0.40
HTR2B P41595 3/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR5A P47898 2/20 0.40
HTR3A P46098 3/20 0.40
ADRB1 P08588 4/20 0.39
ALDH1A1 P00352 1/20 0.37
OPRL1 P41146 1/20 0.37
HTR2A P28223 2/20 0.37

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
SCHEMBL13344890 0.78 TTR (0.44) HTR7HTR1AHTR6HTR2BHTR1D
SCHEMBL6194571 0.78 HTR1A (0.58) HTR7HTR1AHTR6HTR2BHTR1B
SCHEMBL8226241 0.74 NOTUM (0.56) HTR7HTR1AHTR6HTR2BHTR1D
SCHEMBL4909469 0.74 HTR7 (0.58) HTR7HTR1AHTR6HTR2BHTR1D
SCHEMBL8226246 0.73 PIM1 (0.48) HTR7ALDH1A1
SCHEMBL8220981 0.73 POLB (0.50) HTR7HTR1AHTR6HTR2BADRB1
SCHEMBL8221004 0.71 KMT2A (0.48) HTR7HTR1AHTR6HTR2BHTR1D
SCHEMBL8229627 0.71 MAPT (0.47) HTR7HTR1AHTR6HTR2BHTR1D
SCHEMBL29893068 0.71 KDR (0.53) HTR7HTR1AHTR6HTR2BHTR1D
SCHEMBL5280641 0.71 KDR (0.53) HTR7HTR1AHTR6HTR2BHTR1D

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-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
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 36/4885HTR1A 13/4885HTR6 72/4885

“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.