SCHEMBL3828558

SCHEMBL3828558

Cc1nc2ccccc2c(=O)n1CCO

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.83
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
GFER P55789 1/20 0.67
GAA P10253 2/20 0.63
HTR1A P08908 2/20 0.56
HTR7 P34969 2/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CASR P41180 1/20 0.50

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
SCHEMBL14184518 0.91 TSHR (1.00) TSHRMEN1KMT2AGFERGAA
SCHEMBL3824883 0.90 TSHR (0.92) TSHRMEN1KMT2AGFERGAA
SCHEMBL12963486 0.86 MEN1 (0.73) TSHRMEN1KMT2AGFERGAA
SCHEMBL31037456 0.84 MEN1 (0.71) TSHRMEN1KMT2AGFERGAA
SCHEMBL1544971 0.84 MEN1 (0.71) TSHRMEN1KMT2AGFERGAA
SCHEMBL11008746 0.83 CASR (0.72) TSHRMEN1KMT2AGAAALDH1A1
Bromide SCHEMBL8684539 0.83 MEN1 (0.69) TSHRMEN1KMT2AGFERGAA
SCHEMBL5748764 0.83 MEN1 (1.00) TSHRMEN1KMT2AGFERGAA
SCHEMBL8347824 0.82 MEN1 (0.68) TSHRMEN1KMT2AGFERGAA
SCHEMBL874882 0.82 TSHR (0.58) TSHRMEN1KMT2AGAAALDH1A1

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
EP-1793828-A4 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY REDDYS LAB LTD DR (IN) 2009-09-02 EP disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
US-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity DR. REDDY'S LABORATORIES LIMITED (IN) 2008-05-15 US disclosed
EP-1793828-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006029075-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-03-16 WO disclosed
US-6331555-B1 EVALUATING SUSCEPTIBILITY OF CANCER TO COMPOUNDS WHICH INHIBIT PLATELET DERIVED GROWTH FACTOR RECEPTOR ACTIVITY UNIVERSITY OF CALIFORNIA 2001-12-18 US disclosed
EP-1000617-A2 Treatment of platelet derived growth factor related disorders such as cancers using inhibitors of platelet derived growth receptor Sugen, Inc. (US) 2000-05-17 EP disclosed
US-5990141-A ADMINISTERING 5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID-N-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-TRIFLUORO-METHYL)PHENYL-2-BUTENAMIDE; ANTITUMOR,-CARCINOGENIC AND PROLIFERATIVE AGENTS; KINASE INHIBITORS SUGEN INC. (US) 1999-11-23 US disclosed
US-5958959-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE SUGEN, INC. (US) 1999-09-28 US disclosed
US-5932602-A ANTIGROWTH AGENTS; ANTITUMOR AGENT; USING AN ISOOXIDAZOLE COMPOUND SUGEN, INC. (US) 1999-08-03 US disclosed
US-5700822-A ADMINISTERING TO THE PATIENT AN EFFECTIVE AMOUNT OF ISOXAZOLE AMIDE DERIVATIOVE AND CYANO, HYDROXY, AROMATIC AMIDE DERIVATIVE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-12-23 US disclosed
US-5700823-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)-ANILIDE OR N-(4-TRIFLUOROMETHYLPHENYL)-2-CYANO-3-HYDROXYCROTONAMIDE SUGEN, INC. (US) 1997-12-23 US disclosed
EP-0804191-A1 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCERS USING INHIBITORS OF PLATELET DERIVED GROWTH RECEPTOR Sugen, Inc. (US) 1997-11-05 EP disclosed
WO-1995019169-A2 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCER USING INHIBITORS OF PLATELET DERIVED GROWTH FACTOR RECEPTOR SUGEN, INC. (US) 1995-07-20 WO disclosed
WO-1993021163-A1 QUINAZOLONES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1993-10-28 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 (1 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-20080114005-A1 2-Methyl-2-{4-[2-(2-methyl-4-oxo-4H-quinazolin-3-yl)-ethylamino]-phenylsulfanyl}-propionic acid ethyl ester; peroxisome proliferaor activated receptors alfa and gamma agonist; diabetic dyslipidemia, metabolic syndrome, diabetes, non-insulin dependent diabetes, cardiovascular disease, and obesity PPARA, PPARD, PPARG TSHR 26/4885MEN1 3663/4885KMT2A 1337/4885

“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.