SCHEMBL382920

SCHEMBL382920

NC1CCN(C(=O)N2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CA2 P00918 1/20 0.46
CHKA P35790 1/20 0.46
HSD11B1 P28845 1/20 0.46
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
TP53 P04637 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL14275787 0.98 ALDH1A1 (0.61) ALDH1A1CA2CHKAHSD11B1HPGD
SCHEMBL1136825 0.93 GNAI3 (0.46) ALDH1A1CA2CHKAHSD11B1MEN1
Hydrochloric Acid SCHEMBL1136691 0.90 GNAI3 (0.48) ALDH1A1CA2CHKAHSD11B1MEN1
Hydrochloric Acid SCHEMBL1136694 0.90 GNAI3 (0.48) ALDH1A1CA2CHKAHSD11B1MEN1
SCHEMBL14275572 0.87 ALDH1A1 (0.54) ALDH1A1CA2CHKAHSD11B1HPGD
SCHEMBL1412233 0.84 MCHR1 (0.41) ALDH1A1GNAI3GNAO1GNAI1CHRM2
SCHEMBL14417813 0.84 GNAI3 (0.41) ALDH1A1GNAI3GNAO1GNAI1CHRM2
SCHEMBL1412231 0.84 MCHR1 (0.41) ALDH1A1GNAI3GNAO1GNAI1CHRM2
SCHEMBL6584309 0.84 SMN1; SMN2 (0.51) ALDH1A1TP53
SCHEMBL28771426 0.83 CA2 (0.61) ALDH1A1CA2CHKAHSD11B1HPGD

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 62 patents — showing the first 20. 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-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
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-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 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-9187479-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-17 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-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
WO-2007127382-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-11-08 WO disclosed
WO-2007127382-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-11-08 WO disclosed
EP-1838710-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2007-10-03 EP disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 US disclosed
WO-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 WO disclosed
WO-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 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 (5 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 ALDH1A1 1254/4885CA2 2404/4885CHKA 1194/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ALDH1A1 1337/4885CA2 2652/4885CHKA 1165/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 ALDH1A1 1581/4885CA2 2437/4885CHKA 1846/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ALDH1A1 1337/4885CA2 2652/4885CHKA 1165/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 ALDH1A1 1337/4885CA2 2652/4885CHKA 1165/4885

“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.