SCHEMBL8072275

SCHEMBL8072275

CC(=O)[C@H]1CC[C@@H](C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.43
ROCK1 Q13464 4/20 0.43
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.35
PKN2 Q16513 3/20 0.31
RPS6KA5 O75582 2/20 0.31
LRRK2 Q5S007 2/20 0.31
TSHR P16473 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
CHUK O15111 1/20 0.31
PRKD3 O94806 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
LTK P29376 1/20 0.31
CDK8 P49336 1/20 0.31
PRKX P51817 1/20 0.31
CDK5 Q00535 1/20 0.31
PRKCQ Q04759 1/20 0.31

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
SCHEMBL1227336 1.00 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL11080452 1.00 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL10885253 0.86 ROCK2 (0.38) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL2617044 0.81 MAPT (0.38) LMNATDP1TSHRHTTTHPO
SCHEMBL13165512 0.81 MAPT (0.38) LMNATDP1TSHRHTTTHPO
SCHEMBL76462 0.81
SCHEMBL13165462 0.81 MAPT (0.38) LMNATDP1TSHRHTTTHPO
SCHEMBL6543370 0.80 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5
SCHEMBL22675415 0.80 ALOX5 (0.31) ALOX5
SCHEMBL10270877 0.80 ROCK2 (0.43) ROCK2ROCK1LMNATDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 US disclosed
US-9187479-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 US disclosed
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 US disclosed
US-8440661-B2 Methods of modulating inflammatory cell recruitment and gene expression using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2013-05-14 US disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO disclosed
US-8101588-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-01-24 US disclosed
US-20100249066-A1 METHODS OF MODULATING INFLAMMATORY CELL RECRUITMENT AND GENE EXPRESSION USING HALOARYL SUBSTITUTED AMINOPURINES SIGNAL PHARMACEUTICALS, LLC 2010-09-30 US disclosed
US-7759342-B2 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2010-07-20 US disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH ALBERS RONALD J 2009-11-05 US disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 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 (8 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-20100249066-A1 METHODS OF MODULATING INFLAMMATORY CELL RECRUITMENT AND GENE EXPRESSION USING HALOARYL SUBSTITUTED AMINOPURINES CCR2, CXCR2, CXCR3 ROCK2 1355/4885ROCK1 1160/4885LMNA 1999/4885
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ROCK2 1159/4885ROCK1 785/4885LMNA 843/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ROCK2 1159/4885ROCK1 785/4885LMNA 843/4885
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ROCK2 1159/4885ROCK1 785/4885LMNA 843/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 ROCK2 960/4885ROCK1 561/4885LMNA 961/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ROCK2 1159/4885ROCK1 785/4885LMNA 843/4885
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF TPMT, MGMT, SMAD3 ROCK2 1015/4885ROCK1 656/4885LMNA 1027/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 ROCK2 1159/4885ROCK1 785/4885LMNA 843/4885

“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.