SCHEMBL8250693

SCHEMBL8250693

Fc1cc2c(cc1N1CCNCC1)COCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ OPRL1 P41146 2/20 0.38
▸ HTR6 P50406 6/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ ACLY P53396 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33

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
SCHEMBL8250686 0.75 ADRB1 (0.44) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL8257181 0.75 TGFBR1 (0.46) ADRB1DRD2HTR2ADRD3SIGMAR1
SCHEMBL8250899 0.73 ALDH1A1 (0.49) ADRB1ALDH1A1MAPTLMNAGAA
SCHEMBL28505626 0.71 LMNA (0.43) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL6582872 0.70 ALDH1A1 (0.56) ADRB1ALDH1A1MAPTLMNAGAA
SCHEMBL8251463 0.70 SMN1; SMN2 (0.33) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL15022536 0.70 LMNA (0.38) MAPTLMNAGAASMN1; SMN2
SCHEMBL13450813 0.70 MAPT (0.37) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL30059728 0.70 MAPT (0.50) ADRB1ALDH1A1MAPTLMNAGAA
SCHEMBL5455305 0.70 ADRB1 (0.64) ADRB1ALDH1A1LMNASMN1; SMN2DRD2

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 ADRB1 34/4885ALDH1A1 591/4885MAPT 2814/4885

“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.

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