SCHEMBL1069892

SCHEMBL1069892

Cn1cc(Br)nc(Nc2ccc(C=O)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
BRD4 O60885 2/20 0.35
NPC1 O15118 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
NR4A1 P22736 1/20 0.32
CYP2A6 P11509 2/20 0.32
PYGM P11217 2/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
BTK Q06187 2/20 0.30
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL15886528 0.82 BRD4 (0.43) GAABRD4NPC1PYGMMAPT
SCHEMBL1432103 0.80 GSK3B (0.45) GAANPC1MEN1KMT2AMAPT
SCHEMBL14472559 0.80 DHODH (0.41) BRD4JAK2JAK1KDM4E
SCHEMBL1067997 0.80 BRD4 (0.38) BRD4PYGMMAPTBTK
SCHEMBL15886525 0.80 RAB9A (0.43) GAANPC1MEN1KMT2AMAPT
SCHEMBL1065221 0.77 ABL1 (0.41) BRD4NPC1MEN1KMT2AJAK2
SCHEMBL15886453 0.77 MEN1 (0.44) BRD4MEN1KMT2APYGMHDAC8
SCHEMBL1393093 0.76 WEE1 (0.42) BRD4JAK2JAK1BTK
SCHEMBL10256242 0.76 BTK (0.39) BRD4BTK
SCHEMBL10256464 0.75 BTK (0.46) BRD4JAK2BTK

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed
EP-1863766-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-05-20 EP disclosed
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
US-8536166-B2 Inhibitors of Burton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2013-09-17 US disclosed
EP-2300459-B1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2013-05-29 EP disclosed
US-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947835-B2 Certain substituted amides, method of making, and method of use thereof CGI PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
EP-2300459-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-2270200-A2 Kinase inhibitors, and methods of using and identifying kinase inhibitors CGI Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
US-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors CGI PHARMACEUTICALS, INC (US) 2010-06-24 US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE ROCHE PALO ALTO LLC 2010-01-07 US disclosed
WO-2010000633-A1 NOVEL PHENYLPYRAZINONES AS KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-07 WO disclosed
EP-2068849-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI Pharmaceuticals, Inc. (US) 2009-06-17 EP disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed
EP-1863766-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2007-12-12 EP disclosed
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof GILEAD CONNECTICUT, INC. 2006-10-12 US disclosed
WO-2006099075-A2 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2006-09-21 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 (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-20100160292-A1 Kinase Inhibitors, and Methods of Using and Identifying Kinase Inhibitors BTK, LYN, LCK GAA 2027/4885BRD4 575/4885NPC1 3977/4885
US-20060229337-A1 Certain substituted amides, method of making, and method of use thereof BTK, SYK, MYD88 GAA 667/4885BRD4 187/4885NPC1 1749/4885
US-20100004231-A1 INHIBITORS OF BURTON'S TYROSINE KINASE BTK, LCK, LYN GAA 1741/4885BRD4 397/4885NPC1 4563/4885

“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.