SCHEMBL1129002

SCHEMBL1129002

Brc1ccc2nn(CCc3ccccc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.48
ADORA1 P30542 8/20 0.44
ADORA3 P0DMS8 7/20 0.44
ADORA2A P29274 6/20 0.42
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH3A1 P30838 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
POLB P06746 1/20 0.38
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA2B P29275 1/20 0.37
ERBB2 P04626 1/20 0.36

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
SCHEMBL1128989 0.88 ADORA1 (0.44) HDAC8ADORA1ADORA3ADORA2AALDH1A1
SCHEMBL1128943 0.85 HDAC8 (0.50) HDAC8ADORA1ADORA3ADORA2AALDH1A1
SCHEMBL8558135 0.82 ADORA2A (0.48) ADORA1ADORA3ADORA2AALDH1A1KDM4E
SCHEMBL25401227 0.79 KDM4E (0.50) ADORA1ADORA3ADORA2AALDH1A1KDM4E
SCHEMBL12419295 0.79 ADORA2A (0.40) ADORA1ADORA3ADORA2APOLBQPCT
SCHEMBL146444 0.78 HDAC8 (0.38) HDAC8ALDH1A1RXFP1HDAC6
SCHEMBL16569404 0.78 HDAC8 (0.40) HDAC8ALDH1A1MEN1KMT2AHDAC6
SCHEMBL31394603 0.78 HDAC8 (0.38) HDAC8ALDH1A1CCNCCDK8KDM4E
SCHEMBL8556009 0.77 PKM (0.53) CCNCCDK8DAGLAMEN1KMT2A
SCHEMBL3351415 0.75 IRAK4 (0.40) HDAC8ALDH1A1MEN1KMT2AERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
CN-102046179-B Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2015-01-14 CN disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
CN-102046179-A Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS INC 2011-05-04 CN disclosed
EP-2282742-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE Infinity Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 WO 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 (2 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HDAC8 769/4885ADORA1 447/4885ADORA3 350/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 HDAC8 769/4885ADORA1 447/4885ADORA3 350/4885

“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.