SCHEMBL3299072

SCHEMBL3299072

Clc1cc(-c2ccccc2)nc2cc(C3CC3)nn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.45
ALDH1A1 P00352 12/20 0.45
HTT P42858 3/20 0.44
TP53 P04637 3/20 0.43
HPGD P15428 6/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 3/20 0.41
GLA P06280 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41

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
SCHEMBL13298024 0.87 DYRK1A (0.36) KDM4EALDH1A1HTTTP53HPGD
SCHEMBL13298029 0.85 LMNA (0.42) LMNAHSD17B10
SCHEMBL13317488 0.84 KDM4E (0.58) KDM4EALDH1A1HTTTP53HPGD
SCHEMBL13298034 0.82 CCR1 (0.45) KDM4EALDH1A1HTTTP53LMNA
SCHEMBL13298036 0.81 NPC1 (0.35) NPC1L3MBTL1
SCHEMBL5052617 0.79 PDE10A (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL16386072 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HTTTP53HPGD
SCHEMBL3299677 0.78 TP53 (0.53) KDM4EALDH1A1HTTTP53HPGD
SCHEMBL1019767 0.76 PIK3CG (0.33) KDM4EALDH1A1TP53HPGDLMNA
SCHEMBL5056012 0.76 RAB9A (0.44) KDM4EALDH1A1HTTHPGDNPC1

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 KDM4E 4502/4885ALDH1A1 1337/4885HTT 201/4885

“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.