SCHEMBL8432804

SCHEMBL8432804

NCCCOc1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
LTA4H P09960 2/20 0.45
PLA2G2A P14555 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS1 P29475 1/20 0.45
MAOB P27338 2/20 0.44
PTGS2 P35354 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL2147268 0.93 ATM (0.51) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL8918756 0.91 ATM (0.50) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL1784442 0.88 TAAR1 (0.60) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL991452 0.88 TAAR1 (0.56) TAAR1LTA4HPLA2G2A
Hydrochloric Acid SCHEMBL30624645 0.86 TAAR1 (0.58) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL18235025 0.85 DRD4 (0.57) DRD4DRD2DRD3ATML3MBTL1
Hydrochloric Acid SCHEMBL6258205 0.85 TAAR1 (0.54) TAAR1LTA4HPLA2G2A
SCHEMBL17445905 0.85 ATM (0.60) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL17465617 0.83 ATM (0.58) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL7898603 0.83 ATM (0.58) DRD4DRD2DRD3ATML3MBTL1

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-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

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 DRD4 384/4885DRD2 108/4885DRD3 143/4885

“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.