SCHEMBL8226241

SCHEMBL8226241

Fc1ccc(-c2ccn[nH]2)cc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.56
HTR7 P34969 11/20 0.47
HTR1A P08908 10/20 0.47
HTR2B P41595 10/20 0.47
HTR6 P50406 10/20 0.47
HTR3A P46098 6/20 0.44
HTR2A P28223 4/20 0.44
HTR5A P47898 3/20 0.44
HTR1D P28221 5/20 0.43
HTR1B P28222 2/20 0.43
HTR2C P28335 2/20 0.43
POLB P06746 1/20 0.41
PTPN11 Q06124 1/20 0.41
PRKD1 Q15139 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
KCNH2 Q12809 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
SCHEMBL13344890 0.80 TTR (0.44) HTR7HTR1AHTR2BHTR6HTR3A
SCHEMBL3938908 0.76 NPC1 (0.54) HTR3APOLBPTPN11
SCHEMBL4909469 0.75 HTR7 (0.58) HTR7HTR1AHTR2BHTR6HTR3A
SCHEMBL8226159 0.74 HTR7 (0.43) HTR7HTR1AHTR2BHTR6HTR3A
SCHEMBL8226475 0.74 HTR7 (0.43) HTR7HTR1AHTR2BHTR6KCNH2
SCHEMBL4912614 0.74 CYP1A2 (0.55) HTR7HTR1AHTR2BHTR6HTR2A
SCHEMBL15327070 0.73 NOTUM (1.00) NOTUMPOLBPTPN11
SCHEMBL29639915 0.73 KCNH2 (0.43) HTR7HTR1AHTR2BHTR6HTR3A
SCHEMBL8226116 0.73 KCNH2 (0.43) HTR7HTR1AHTR2BHTR6HTR3A
SCHEMBL5280641 0.72 KDR (0.53) HTR7HTR1AHTR2BHTR6HTR3A

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
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
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-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
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 NOTUM 4686/4885HTR7 36/4885HTR1A 13/4885

“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.