SCHEMBL3299031

SCHEMBL3299031

O=c1cc(-c2cnccn2)[nH]c2cc(C3CC3)nn12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.44
PARP1 P09874 1/20 0.39
NPY5R Q15761 1/20 0.34
P2RX7 Q99572 1/20 0.34
CHEK1 O14757 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
GCK P35557 2/20 0.32
CYP17A1 P05093 2/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL13297993 0.76 PARP1 (0.49) PLATPARP1NPY5R
SCHEMBL1069309 0.74 PLAT (0.51) PLATPARP1
SCHEMBL3300154 0.72 PARP1 (0.46) PLATPARP1
SCHEMBL20450053 0.66 PLAT (0.46) PLATPARP1CYP17A1
SCHEMBL5055420 0.65 PLAT (0.62) PLATPARP1
SCHEMBL13298076 0.65 LMNA (0.33) CHEK1CCNA2CDK2CCNA1
SCHEMBL29785683 0.62 CHEK1 (0.39) P2RX7CHEK1NISCH
SCHEMBL17738448 0.61 PLAT (1.00) PLAT
SCHEMBL4053090 0.61 PARP1 (0.88) PARP1
SCHEMBL14250161 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed
US-7741318-B2 Pyrazolo [1,5-A]pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-06-22 US disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 EP disclosed
EP-1836205-B1 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-06-10 EP disclosed
EP-1836205-A2 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-09-26 EP disclosed
WO-2006068954-A2 PYRAZOLO[1,5-A]PYRIMIDINE ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2006-06-29 WO disclosed
US-20060135526-A1 Pyrazolo [1,5-A] pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2006-06-22 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-20060135526-A1 Pyrazolo [1,5-A] pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA2B PLAT 1512/4885PARP1 1258/4885NPY5R 167/4885

“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.