Sugi Predict

Sugi Predict / Compounds / SCHEMBL384380

SCHEMBL384380

SCHEMBL384380

O=C(OCc1ccccc1)C1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ FABP7 O15540 1/20 0.47
▸ FABP5 Q01469 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ YTHDC1 Q96MU7 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TAS2R14 Q9NYV8 2/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL384960 1.00 ALDH1A1 (0.47) ALDH1A1GAAFABP7FABP5MEN1
SCHEMBL385422 1.00 ALDH1A1 (0.47) ALDH1A1GAAFABP7FABP5MEN1
SCHEMBL20794388 0.92 ALDH1A1 (0.45) ALDH1A1GAAFABP7FABP5MEN1
SCHEMBL31541599 0.92 ALDH1A1 (0.45) ALDH1A1GAAFABP7FABP5MEN1
SCHEMBL12283364 0.87 TAS2R14 (0.54) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL1934331 0.87 TAS2R14 (0.54) ALDH1A1MEN1KMT2ANPC1LMNA
SCHEMBL6666657 0.86 FABP7 (0.58) ALDH1A1GAAFABP7FABP5KMT2A
SCHEMBL280126 0.86 FABP7 (0.58) ALDH1A1GAAFABP7FABP5KMT2A
SCHEMBL10917021 0.86 FABP7 (0.58) ALDH1A1GAAFABP7FABP5KMT2A
SCHEMBL3919406 0.85 TSHR (0.47) ALDH1A1GAAFABP7FABP5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641906-B Heteroaryl substituted aminopyridine compounds 百时美施贵宝公司 2021-10-01 — — CN disclosed
US-10618903-B2 Heteroaryl substituted aminopyridine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-14 — — US disclosed
EP-3475270-B1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 — — EP disclosed
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-09-26 — — 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-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
EP-2289893-B1 Haloaryl substituted aminopurines for use in treatment SIGNAL PHARM LLC (US) 2014-06-25 — — EP disclosed
EP-2112151-B1 Haloaryl substituted aminopurines for use in treatment SIGNAL PHARM LLC (US) 2013-11-20 — — EP 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
EP-1838710-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2007-10-03 — — EP disclosed
EP-1656138-A4 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-04-18 — — EP 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
EP-1656138-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 — — EP disclosed
WO-2005020899-A2 SUBSTITUTED CYCLOALKYAMINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 — — WO disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 — — 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 ALDH1A1 1254/4885GAA 4812/4885FABP7 3372/4885
US-20190292191-A1 HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS IRAK4, IRAK3, IRAK2 ALDH1A1 1590/4885GAA 4462/4885FABP7 4569/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 827/4885GAA 4005/4885FABP7 1193/4885
US-10618903-B2 Heteroaryl substituted aminopyridine compounds IRAK4, IRAK3, IRAK2 ALDH1A1 1590/4885GAA 4462/4885FABP7 4569/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ALDH1A1 1337/4885GAA 4811/4885FABP7 3499/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 ALDH1A1 1581/4885GAA 4841/4885FABP7 3705/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 ALDH1A1 1337/4885GAA 4811/4885FABP7 3499/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 ALDH1A1 1337/4885GAA 4811/4885FABP7 3499/4885

“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.