SCHEMBL3299677

SCHEMBL3299677

Cc1cc2nc(-c3ccccc3)cc(Cl)n2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
KDM4E B2RXH2 7/20 0.53
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
MAPT P10636 4/20 0.51
ALDH1A1 P00352 8/20 0.50
HPGD P15428 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
BTK Q06187 1/20 0.50
MRGPRX2 Q96LB1 1/20 0.50
HSD17B10 Q99714 4/20 0.47

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
SCHEMBL15042208 0.88 TP53 (0.68) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL13298018 0.86 TP53 (0.52) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL25975420 0.84 KDM4E (0.69) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL7063800 0.83 RAB9A (0.71) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL25974258 0.83 MAPT (0.69) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL13298002 0.82 DPP4 (0.44) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL13298005 0.82 DPP4 (0.45) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL16386072 0.81 ALDH1A1 (0.50) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL13541890 0.81 MAPT (0.55) TP53KDM4ERAB9ANPC1MAPT
SCHEMBL10837052 0.81 KDM4E (0.74) TP53KDM4ERAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO 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
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 TP53 3024/4885KDM4E 4502/4885RAB9A 1189/4885

“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.