SCHEMBL3300154

SCHEMBL3300154

O=c1cc(-c2ccccc2F)[nH]c2cc(C3CC3)nn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
PLAT P00750 8/20 0.43
ADORA3 P0DMS8 1/20 0.39
KDM5B Q9UGL1 2/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NPC1 O15118 1/20 0.36
MTOR P42345 1/20 0.36
PLK4 O00444 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
DYRK3 O43781 1/20 0.35
RPS6KA4 O75676 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
CHEK2 O96017 1/20 0.35
EGFR P00533 1/20 0.35
CDK1 P06493 1/20 0.35

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 0.82 PARP1 (0.49) PARP1PLATADORA2AADORA1NPC1
SCHEMBL2197780 0.78 KDM5B (0.43) PLATADORA3KDM5BKDM5AKDM4C
SCHEMBL1069309 0.72 PLAT (0.51) PARP1PLATNPC1
SCHEMBL31468352 0.69 KDM5A (0.43) PARP1ADORA3KDM5BKDM5AKDM4C
SCHEMBL20076038 0.68 ADORA2A (0.47) ADORA3KDM5BKDM5AKDM4CADORA2A
SCHEMBL2197782 0.68 LMNA (0.47) PLATADORA3KDM5BKDM5AKDM4C
SCHEMBL4053090 0.68 PARP1 (0.88) PARP1
SCHEMBL20450053 0.67 PLAT (0.46) PARP1PLATKDM4CNPC1
SCHEMBL31468318 0.66 NPC1 (0.41) PARP1ADORA3NPC1EGFRMAPK1
SCHEMBL13298036 0.65 NPC1 (0.35) ADORA3KDM5BNPC1

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 PARP1 1258/4885PLAT 1512/4885ADORA3 2/4885

“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.