SCHEMBL8256552

SCHEMBL8256552

Cn1c(=O)sc2cc(N3CCNCC3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.51
HTR2C P28335 3/20 0.50
ADRB1 P08588 5/20 0.46
SIGMAR1 Q99720 7/20 0.43
KHK P50053 1/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
HTR6 P50406 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7501897 0.76 PKM (0.49) TP53THRB
SCHEMBL16703758 0.72 CRBN (0.46) HTR1AHTR2CSIGMAR1TP53
SCHEMBL8257686 0.71 MEN1 (0.50) HTR1AADRB1KHKSLC6A4
Bromide SCHEMBL10930934 0.71 HTR1A (0.47) HTR1AHTR2CADRB1SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL23122038 0.70 ASAH1 (0.49) HTR1AADRB1KHKSLC6A4
SCHEMBL4616475 0.70 MAPT (0.51) HTR1AHTR2CSIGMAR1TP53
SCHEMBL7814509 0.70 MAOA (0.55) HTR1AHTR2CSIGMAR1CYP3A4CYP2C19
SCHEMBL22526414 0.70 ADRB1 (0.47) HTR1AHTR2CADRB1SIGMAR1KHK
SCHEMBL7762759 0.69 HTR1A (0.65) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL23010425 0.69 ADRB1 (0.54) HTR1AHTR2CADRB1SIGMAR1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 HTR1A 16/4885HTR2C 8/4885ADRB1 34/4885

“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.