SCHEMBL8259247

SCHEMBL8259247

c1cc2c(cc1N1CCNCC1)OCCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.50
ACVR1 Q04771 1/20 0.50
ADRB1 P08588 8/20 0.49
SIGMAR1 Q99720 5/20 0.47
HTR3E A5X5Y0 4/20 0.47
HTR3B O95264 4/20 0.47
HTR3A P46098 4/20 0.47
HTR3D Q70Z44 4/20 0.47
HTR3C Q8WXA8 4/20 0.47
HTR5A P47898 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
HTR1A P08908 3/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR7 P34969 2/20 0.44

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
SCHEMBL7503757 0.93 TGFBR1 (0.55) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL10407803 0.92 TGFBR1 (0.54) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
SCHEMBL5235512 0.90 TGFBR1 (0.51) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
SCHEMBL254552 0.86 ADRB1 (0.51) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
SCHEMBL20000624 0.86 DRD2 (0.50) SIGMAR1DRD2DRD3DRD4HTR1A
Hydrochloric Acid SCHEMBL5675045 0.85 ADRB1 (0.50) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL4467034 0.85 ADRB1 (0.50) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
Hydrochloric Acid SCHEMBL10755464 0.85 ADRB1 (0.50) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
SCHEMBL24729859 0.83 ADRB1 (0.45) TGFBR1ACVR1ADRB1SIGMAR1HTR3E
SCHEMBL7526307 0.83 ADRB1 (0.45) TGFBR1ACVR1ADRB1SIGMAR1HTR3E

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-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 TGFBR1 1702/4885ACVR1 1167/4885ADRB1 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.