SCHEMBL1407409

SCHEMBL1407409

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
CDK4 P11802 5/20 0.46
CCND1 P24385 4/20 0.46
CDK2 P24941 4/20 0.46
CCNE2 O96020 3/20 0.46
CCNE1 P24864 3/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
ADORA2A P29274 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL1407655 0.84 CHEK1 (0.50) MEN1KMT2AMAPTTP53CDK4
SCHEMBL1407225 0.84 MEN1 (0.48) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL18122029 0.81 ALDH1A1 (0.55) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL1407136 0.81 MEN1 (0.44) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL4028606 0.80 MAPK1 (0.62) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL2995599 0.79 FBP1 (0.46) MEN1KMT2AMAPTCDK4CCND1
SCHEMBL31760855 0.77 KDM4E (0.65) MEN1KMT2AMAPTTP53CDK4
SCHEMBL4199525 0.77 KDM4E (0.65) MEN1KMT2AMAPTTP53CDK4
SCHEMBL2999219 0.75 ALOX5 (0.43) MEN1KMT2AMAPTTP53CDK4
SCHEMBL30719652 0.74 ATM (0.67) MAPTCDK4CCND1CDK2CCNE2

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 12 patents. 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
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-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-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 (3 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 2373/4885TNKS 3525/4885
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR MEN1 1719/4885KMT2A 2656/4885TNKS 3016/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 MEN1 2749/4885KMT2A 2418/4885TNKS 3178/4885

“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.