SCHEMBL1063103

SCHEMBL1063103

c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
PDE5A O76074 6/20 0.97
ALDH1A1 P00352 2/20 0.82
TGFBR1 P36897 1/20 0.82
MAPK14 Q16539 1/20 0.82
KDM4E B2RXH2 1/20 0.82
POLB P06746 1/20 0.82
HPGD P15428 1/20 0.82
SMN1; SMN2 Q16637 1/20 0.82
LMNA P02545 2/20 0.79
TP53 P04637 1/20 0.79
MAPT P10636 1/20 0.79
GAA P10253 1/20 0.79
ABCC1 P33527 1/20 0.75
USP2 O75604 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
TSHR P16473 1/20 0.75

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
SCHEMBL4868573 0.92 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL14262835 0.90 ABCG2 (0.82) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL412953 0.90 TGFBR1 (1.00) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL31061048 0.90 TGFBR1 (1.00) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL7434986 0.90 ALDH1A1 (1.00) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL5531993 0.89 ABCG2 (0.89) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL4867505 0.89 ABCG2 (1.00) ABCG2MEN1KMT2APDE5ATGFBR1
SCHEMBL8095812 0.89 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL1061916 0.89 ABCG2 (1.00) ABCG2MEN1KMT2APDE5AALDH1A1
SCHEMBL3460305 0.88 ALDH1A1 (0.94) ABCG2MEN1KMT2APDE5AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2008-08-28 US claimed
JP-2008526734-A 2008-07-24 JP claimed
EP-1844023-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2007-10-17 EP claimed
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO claimed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed
US-8936840-B2 Retardation film, polarizing plate, liquid crystal display device, and compound Konica Minolta, Inc. (JP) 2015-01-20 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
EP-1789074-A2 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME Alios Biopharma Inc. (US) 2007-05-30 EP disclosed
US-20060204473-A1 Synthetic hyperglycosylated, and hyperglycosylated protease-resistant polypeptide variants, oral formulations and methods of using the same ALIOS BIOPHARMA, INC. 2006-09-14 US disclosed
US-20060182716-A1 Synthetic hyperglycosylated, protease-resistant polypeptide variants, oral formulations and methods of using the same ALIOS BIOPHARMA, INC. 2006-08-17 US disclosed
WO-2006071095-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY SK CHEMICALS CO., LTD. (KR) 2006-07-06 WO disclosed
WO-2006020580-A2 SYNTHETIC HYPERGLYCOSYLATED, PROTEASE-RESISTANT POLYPEPTIDE VARIANTS, ORAL FORMULATIONS AND METHODS OF USING THE SAME ALIOS BIOPHARMA INC. (US) 2006-02-23 WO disclosed
WO-2005110455-A2 COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTION INTERMUNE, INC. (US) 2005-11-24 WO disclosed
WO-2004105684-A2 COMBINATION THERAPY FOR PROLIFERATIVE DISORDERS INTERMUNE, INC. (US) 2004-12-09 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 (6 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885MEN1 4790/4885KMT2A 1061/4885
US-20060182716-A1 Synthetic hyperglycosylated, protease-resistant polypeptide variants, oral formulations and methods of using the same IFNAR1, IDE, CTSC ABCG2 713/4885MEN1 3779/4885KMT2A 4519/4885
US-20080207614-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES AND OBESITY GPR119, GCKR, GLP1R ABCG2 207/4885MEN1 3837/4885KMT2A 1662/4885
US-20060204473-A1 Synthetic hyperglycosylated, and hyperglycosylated protease-resistant polypeptide variants, oral formulations and methods of using the same IFNAR1, EPOR, HBB ABCG2 336/4885MEN1 3792/4885KMT2A 4560/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG ABCG2 2822/4885MEN1 4770/4885KMT2A 1377/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ABCG2 3042/4885MEN1 4790/4885KMT2A 1061/4885

“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.