SCHEMBL1765084

SCHEMBL1765084

Cc1nc(-c2ccc(F)c(Br)c2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
GAA P10253 4/20 0.55
RECQL P46063 3/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.55
ESR2 Q92731 1/20 0.55
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ROCK2 O75116 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
GFER P55789 1/20 0.49
HTT P42858 1/20 0.45
TRIM24 O15164 1/20 0.45

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
SCHEMBL1764691 0.85 ALDH1A1 (0.60) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL8256648 0.83 GAA (0.58) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL474270 0.82 MPL (0.63) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL12021849 0.81 RECQL (0.58) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL12021983 0.81 GAA (0.55) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL19626486 0.81 ABL1 (0.59) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL12021795 0.80 GAA (0.51) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL9435249 0.80 MAPT (0.63) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL1765099 0.80 ALDH1A1 (0.58) MAPTGAARECQLALDH1A1KDM4E
SCHEMBL8221631 0.78 GAA (0.53) MAPTGAARECQLALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-26 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-7465740-B2 2-heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-12-16 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 WO disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (3 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MAPT 1773/4885GAA 2805/4885RECQL 599/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MAPT 2814/4885GAA 2125/4885RECQL 509/4885
US-20110124636-A1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CNR1 MAPT 3585/4885GAA 3257/4885RECQL 2808/4885

“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.