SCHEMBL4197111

SCHEMBL4197111

Oc1ccc(-c2[nH]nc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.53
DYRK1A Q13627 5/20 0.51
DYRK1B Q9Y463 4/20 0.51
RPS6KA3 P51812 4/20 0.50
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NOS1 P29475 1/20 0.46
TNKS O95271 1/20 0.45
GUSB P08236 1/20 0.45
PARP1 P09874 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
DYRK3 O43781 2/20 0.43
GSK3B P49841 2/20 0.43
CDK5 Q00535 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CSNK1E P49674 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43

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
SCHEMBL17196524 0.85 CYP1A2 (0.48) ALKDYRK1ADYRK1BRPS6KA3CYP1A2
SCHEMBL12286155 0.84 CYP1A2 (0.52) ALKDYRK1ADYRK1BESR1ESR2
SCHEMBL5953232 0.76 ITK (0.52) DYRK1BRPS6KA3TNKSGUSBPARP1
SCHEMBL22801606 0.76 MAP2K4 (0.56) ALKDYRK1ADYRK1BDYRK3GSK3B
SCHEMBL22801717 0.73 MAP2K4 (0.59) ALKDYRK1ADYRK1BRPS6KA3DYRK3
SCHEMBL16178927 0.71 CYP1A2 (0.56) CYP1A2CYP2C19NOS1TNKSGUSB
SCHEMBL17692468 0.71 CYP1A2 (0.60) CYP1A2CYP2C19NOS1PARP1TNKS2
Hydrochloric Acid SCHEMBL30262984 0.70 CYP1A2 (0.54) CYP1A2CYP2C19NOS1TNKSGUSB
SCHEMBL12075154 0.69 CYP1A2 (0.48) CYP1A2CYP2C19NOS1MEN1KMT2A
SCHEMBL18627081 0.69 CYP1A2 (0.48) CYP1A2CYP2C19NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2006-05-25 US 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
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-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-20070225349-A1 Substituted 4-(Indazol-3-yl)phenols INSR, TNNI3, INSRR ALK 2511/4885DYRK1A 1771/4885DYRK1B 1434/4885
US-20050113405-A1 Methods of treating rheumatoid arthritis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ALK 1271/4885DYRK1A 1778/4885DYRK1B 1146/4885
US-20040167127-A1 Substituted 4-(indazol-3-yl)phenols INSR, MSR1, TNNI3 ALK 3201/4885DYRK1A 1865/4885DYRK1B 1764/4885
US-20050119324-A1 Methods of treating atherosclerosis using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ALK 1438/4885DYRK1A 2117/4885DYRK1B 1421/4885
US-20060111421-A1 Method of treating or preventing myocardial ischemia-reperfusion injury using NF-kB inhibitors IKBKB, NFKBIA, IKBKG ALK 3486/4885DYRK1A 2567/4885DYRK1B 1700/4885
US-20050119276-A1 Methods of treating inflammatory bowel disease using NF-kB inhibitors NFKBIA, IKBKB, IKBKG ALK 1849/4885DYRK1A 1542/4885DYRK1B 956/4885

“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.