SCHEMBL4028606

SCHEMBL4028606

Cc1cccc2c(-c3ccc(O)cc3)n[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.62
MAP2K4 P45985 3/20 0.62
MAPKAPK2 P49137 3/20 0.62
MAPK6 Q16659 3/20 0.62
MAPKAPK3 Q16644 2/20 0.51
MAPKAPK5 Q8IW41 1/20 0.51
PDPK1 O15530 1/20 0.49
HSP90AB1 P08238 1/20 0.49
FGFR1 P11362 5/20 0.47
FGFR2 P21802 3/20 0.47
FGFR3 P22607 2/20 0.47
ESR1 P03372 1/20 0.47
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL18122029 0.84 ALDH1A1 (0.55) MAPK1MAP2K4MAPKAPK2MAPK6FGFR1
SCHEMBL4032541 0.81 PDPK1 (0.47) MAPK1MAP2K4MAPKAPK2MAPK6MAPKAPK3
SCHEMBL4025987 0.81 CHEK1 (0.54) MAPK1MAP2K4MAPKAPK2MAPK6MAPKAPK3
SCHEMBL1407409 0.80 MEN1 (0.50) TNKSPARP1TNKS2GAAKMT2A
SCHEMBL4031966 0.78 ESR1 (0.50) MAPK1MAP2K4MAPKAPK2MAPK6MAPKAPK3
SCHEMBL20674199 0.76 AHR (0.44) MAPK1MAP2K4MAPKAPK2MAPK6GAA
SCHEMBL4200287 0.73 IDO1 (0.71) MAPK1MAP2K4MAPKAPK2MAPK6MAPKAPK3
SCHEMBL8404432 0.71 AHR (0.47) GAAKMT2AALDH1A1MEN1CHEK1
SCHEMBL29363334 0.70 ATM (0.73) MAPK1GAAKMT2AALDH1A1MEN1
SCHEMBL1904310 0.70 ATM (0.73) MAPK1GAAKMT2AALDH1A1MEN1

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
US-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols WYETH (US) 2007-09-27 US claimed
US-7241791-B2 Substituted 4-(indazol-3-yl)phenols WYETH (US) 2007-07-10 US claimed
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US 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
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-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-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.