SCHEMBL5865715

SCHEMBL5865715

Cc1n[nH]c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.68
CHEK1 O14757 1/20 0.68
MAPK1 P28482 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RPS6KA3 P51812 1/20 0.50
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MDM2 Q00987 1/20 0.44
ILK Q13418 1/20 0.43
GRM5 P41594 1/20 0.42
TP53 P04637 1/20 0.42
BRD4 O60885 2/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5253523 0.91 AKT2 (0.58) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL6078226 0.91 AKT2 (0.58) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL5256336 0.88 CHEK1 (0.54) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL14519416 0.87 AKT2 (0.53) AKT2CHEK1MAPK1NPSR1RPS6KA3
Propionic Acid SCHEMBL10359090 0.87 AKT2 (0.53) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL5256808 0.87 AKT2 (0.53) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL5259157 0.84 AKT2 (0.50) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL5254586 0.83 FYN (0.51) AKT2CHEK1MAPK1NPSR1RPS6KA3
SCHEMBL5260432 0.82 CHEK1 (0.47) AKT2CHEK1MAPK1NPSR1KDM4E
SCHEMBL873114 0.81 AKT2 (1.00) AKT2CHEK1MAPK1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132437-B2 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE (US) 2006-11-07 US disclosed
US-6984633-B2 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and epoxymexrenone G.D SEARLE & CO. (US) 2006-01-10 US disclosed
US-6858636-B2 1-phenyl imidazol-2-one biphenylmethyl compounds for treatment of circulatory disorders G.D. SEARLE & CO. (US) 2005-02-22 US disclosed
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO., 2004-11-04 US disclosed
CN-1522701-A Epoxy-steroidal aldosterone antagonist and angiotensin ii antagonist combination therapy G.D.ɪ����˾ 2004-08-25 CN disclosed
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO. 2004-06-24 US disclosed
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure G.D. SEARLE & CO. 2004-05-27 US disclosed
US-20040067915-A1 Method to treat cardiofibrosis with a combination of an angiotensin II antagonist and spironolactone G.D. SEARLE & CO. (US) 2004-04-08 US disclosed
CN-1142793-C Epoxy-steroidal aldosterone antagonist and angiotensin II antagonist combination therapy for the treatment of congestive heart failure G��D��ɪ����˾ 2004-03-24 CN disclosed
US-20040053903-A1 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and an epoxy-steroidal aldosterone antagonist G.D. SEARLE & CO. 2004-03-18 US disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 WO disclosed
WO-1992002257-A2 RENAL-SELECTIVE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-20 WO disclosed
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP 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-20040067915-A1 Method to treat cardiofibrosis with a combination of an angiotensin II antagonist and spironolactone AGTR2, AGTR1, NR3C2 AKT2 4313/4885CHEK1 4001/4885MAPK1 2133/4885
US-20040102423-A1 Spironolactone and angiotensin II antagonist combination therapy for treatment of congestive heart failure AGTR2, AGTR1, NR3C2 AKT2 3361/4885CHEK1 3813/4885MAPK1 1173/4885
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 AKT2 3997/4885CHEK1 3693/4885MAPK1 3095/4885
US-20040053903-A1 Method to treat cardiofibrosis with a combination therapy of an angiotensin II antagonist and an epoxy-steroidal aldosterone antagonist NR3C2, AGTR2, AGTR1 AKT2 4663/4885CHEK1 4310/4885MAPK1 3099/4885
US-20040121989-A1 such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 AKT2 4009/4885CHEK1 3724/4885MAPK1 2835/4885

“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.