Sugi Predict

Sugi Predict / Compounds / SCHEMBL2749321

SCHEMBL2749321

SCHEMBL2749321

CCOC(=O)c1[nH]c(-c2ccco2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ ADORA2B P29275 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ PKM P14618 2/20 0.46
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CACNA1D Q01668 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL5775657 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10MEN1ALOX15KMT2A
SCHEMBL5773315 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10MEN1ALOX15KMT2A
SCHEMBL2748256 0.75 LMNA (0.54) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL5812968 0.74 KMT2A (0.57) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL5776076 0.74 GRM6 (0.50) ALDH1A1HSD17B10MEN1ALOX15KMT2A
SCHEMBL5771002 0.74 GCGR (0.55) ALDH1A1MEN1ALOX15KMT2AKDM4E
SCHEMBL21264058 0.74 MAPT (0.54) ALDH1A1MEN1KMT2AL3MBTL1CACNA1D
SCHEMBL5774019 0.74 MAPT (0.54) ALDH1A1HSD17B10MEN1ALOX15KMT2A
SCHEMBL5772744 0.73 ALOX5 (0.50) ALDH1A1HSD17B10MEN1ALOX15KMT2A
SCHEMBL18529249 0.73 KMT2A (0.47) ALDH1A1HSD17B10MEN1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178543-B2 growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 — — US disclosed
WO-2010036917-A1 PREVENTION AND TREATMENT OF CANCER WITH RAS GENE MUTATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 — — WO disclosed
WO-2010036928-A1 PREVENTION AND TREATMENT OF CANCER WITH LKB1 NON-EXPRESSION (DELETION OR MUTATION) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-01 — — WO disclosed
US-20090203717-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-13 — — US disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 — — US disclosed
US-7507740-B2 Fused heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 — — US disclosed
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-29 — — US disclosed
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-15 — — US disclosed
EP-1904498-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-04-02 — — EP disclosed
US-20070244132-A1 Fused Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 — — US disclosed
EP-1752457-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-02-14 — — EP disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 — — WO disclosed
EP-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 — — EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 — — US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 — — US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 — — EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 — — 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-20090203717-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ALDH1A1 3045/4885HSD17B10 1620/4885MEN1 976/4885
US-20070244132-A1 Fused Heterocyclic Compound NOX3, ERBB3, CBR3 ALDH1A1 3045/4885HSD17B10 1620/4885MEN1 976/4885
US-20090029973-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ALDH1A1 3045/4885HSD17B10 1620/4885MEN1 976/4885
US-20090018335-A1 FUSED HETEROCYCLIC COMPOUND NOX3, ERBB3, CBR3 ALDH1A1 3045/4885HSD17B10 1620/4885MEN1 976/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 ALDH1A1 2646/4885HSD17B10 3785/4885MEN1 1186/4885

“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.