SCHEMBL1407136

SCHEMBL1407136

COc1ccc(-c2n[nH]c3c(C(F)(F)F)cccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CA P42336 1/20 0.43
ENPP1 P22413 2/20 0.42
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CDK4 P11802 5/20 0.41
CCND1 P24385 4/20 0.41
CDK2 P24941 4/20 0.41
CCNE2 O96020 3/20 0.41
CCNE1 P24864 3/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ACP1 P24666 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
ENPP3 O14638 1/20 0.39
CYP11B1 P15538 1/20 0.39

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
SCHEMBL1407266 0.82 SMN1; SMN2 (0.50) MEN1KMT2AENPP1
SCHEMBL1407249 0.82 CYP1A2 (0.43) MEN1KMT2AENPP1MAPTCNR1
SCHEMBL1407566 0.82 DRD1 (0.39) MEN1KMT2APIK3CAMAPTCNR1
SCHEMBL1407075 0.82 ALDH1A1 (0.49) MEN1KMT2AMAPT
SCHEMBL1407225 0.81 MEN1 (0.48) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL4031966 0.81 ESR1 (0.50) MEN1KMT2AMAPT
SCHEMBL1407409 0.81 MEN1 (0.50) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL1407655 0.78 CHEK1 (0.50) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL4032567 0.75 KDM4E (0.40) MEN1KMT2AENPP1MAPTCNR1
SCHEMBL2995599 0.73 FBP1 (0.46) MEN1KMT2AMAPTCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP claimed
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
US-7555415-B2 Methods for the design of estrogen receptor ligands WYETH (US) 2009-06-30 US disclosed
EP-1542976-B1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH CORP (US) 2009-02-04 EP disclosed
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 US disclosed
EP-1856151-A2 ESTROGEN RECEPTOR STRUCTURE Wyeth (US) 2007-11-21 EP disclosed
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US disclosed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US disclosed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US disclosed
EP-1542976-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES Wyeth (US) 2005-06-22 EP disclosed
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors WYETH (US) 2005-06-02 US disclosed
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors WYETH (US) 2005-06-02 US disclosed
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors WYETH (US) 2005-05-26 US disclosed
WO-2005039581-A1 USE OF ESTROGEN RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE WYETH (US) 2005-05-06 WO disclosed
WO-2005039582-A1 METHODS OF TREATING ATHEROSCLEROSIS USING NF-kB INHIBITORS WYETH (US) 2005-05-06 WO disclosed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US disclosed
WO-2004031159-A1 SUBSTITUTED 4-(INDAZOL-3-YL)PHENOLS AS ESTROGEN RECEPTOR (ER) LIGANDS AND THEIR USE IN THE TREATMENT OF INFLAMMATORY DISEASES WYETH (US) 2004-04-15 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 MEN1 4346/4885KMT2A 2373/4885PIK3CA 2304/4885
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR MEN1 1719/4885KMT2A 2656/4885PIK3CA 2617/4885
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG MEN1 4855/4885KMT2A 1243/4885PIK3CA 3208/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 MEN1 2749/4885KMT2A 2418/4885PIK3CA 2380/4885
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG MEN1 4811/4885KMT2A 1381/4885PIK3CA 2885/4885
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors NFKBIA, IKBKB, IKBKG MEN1 4862/4885KMT2A 1341/4885PIK3CA 3030/4885

“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.