SCHEMBL3299668

SCHEMBL3299668

CC(=O)Nc1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MAPT P10636 2/20 0.67
RAB9A P51151 3/20 0.65
ATM Q13315 1/20 0.61
ALDH1A1 P00352 3/20 0.56
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 1/20 0.53
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
GAA P10253 2/20 0.51
USP2 O75604 1/20 0.50
HPGD P15428 2/20 0.49

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
SCHEMBL3300509 0.80 KDM4E (0.76) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL492339 0.76 MEN1 (0.52) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9379820 0.76 RAB9A (0.63) KDM4ESMN1; SMN2MAPTRAB9AATM
SCHEMBL2848539 0.74 KDM4E (0.59) KDM4ESMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL14419624 0.73 KDM4E (0.65) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL6360374 0.73 MAPT (0.52) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL2848543 0.72 KDM4E (0.64) KDM4ESMN1; SMN2MAPTATMALDH1A1
SCHEMBL5273732 0.72 ALDH1A1 (0.62) SMN1; SMN2MAPTALDH1A1HTTLMNA
SCHEMBL2117044 0.71 GAA (0.71) KDM4ESMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL8784077 0.71 KDM4E (0.55) KDM4ESMN1; SMN2MAPTALDH1A1LMNA

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 4 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
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
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 4502/4885SMN1; SMN2 1934/4885MAPT 3705/4885

“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.