SCHEMBL4030717

SCHEMBL4030717

Cn1nc(-c2ccc(O)cc2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
MAP2K4 P45985 2/20 0.53
MAPKAPK2 P49137 1/20 0.53
MAPKAPK3 Q16644 1/20 0.53
MAPK6 Q16659 1/20 0.53
SCN9A Q15858 3/20 0.50
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SCN5A Q14524 1/20 0.46
KIF11 P52732 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
DGAT1 O75907 1/20 0.42
KCNH2 Q12809 1/20 0.42
ESR1 P03372 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAMPT P43490 4/20 0.40
KHK P50053 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
SCHEMBL4027782 0.89 SCN9A (0.57) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL4026271 0.86 SCN9A (0.46) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL5420530 0.86 ALDH1A1 (0.59) MAP2K4SCN9AMAPTSCN5AKIF11
SCHEMBL4032078 0.82 ESR1 (0.57) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL4029018 0.81 ESR1 (0.51) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL4030264 0.81 NAMPT (0.53) SCN9AMAPTKDM4EALDH1A1ESR1
SCHEMBL22801706 0.77 MAP2K4 (0.68) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL4032054 0.76 ESR1 (0.61) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL4029390 0.76 SCN9A (0.52) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL5534076 0.75 SCN9A (0.44) MAPK1MAP2K4MAPKAPK3MAPK6SCN9A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US claimed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN claimed
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 claimed
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2004-08-26 US claimed
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 claimed
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
CN-101054364-A Substituted 4-(indazol-3-yl)phenols as estrogen receptor (ER) ligands and their use in the treatmentof inflammarory diseases WYETH CORP (US) 2007-10-17 CN 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
CN-1321984-C Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2007-06-20 CN disclosed
CN-1692102-A Substituted 4- (indazol-3-yl) phenols as Estrogen Receptor (ER) ligands and their use in the treatment of inflammation WYETH CORP (US) 2005-11-02 CN 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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR MAPK1 857/4885MAP2K4 793/4885MAPKAPK2 1606/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 MAPK1 368/4885MAP2K4 402/4885MAPKAPK2 870/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG MAPK1 1596/4885MAP2K4 860/4885MAPKAPK2 420/4885

“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.