SCHEMBL229717

SCHEMBL229717

COc1cc(-c2c[nH]c3ccccc23)[nH]c1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 6/20 0.46
KDR P35968 6/20 0.46
FLT4 P35916 5/20 0.46
FLT3 P36888 5/20 0.46
PLK4 O00444 3/20 0.46
AURKA O14965 3/20 0.46
SRC P12931 3/20 0.46
TEK Q02763 3/20 0.46
AURKB Q96GD4 3/20 0.46
PDGFRA P16234 2/20 0.46
NUAK1 O60285 2/20 0.46
EGFR P00533 2/20 0.46
INSR P06213 2/20 0.46
IGF1R P08069 2/20 0.46
KIT P10721 2/20 0.46
CDK4 P11802 2/20 0.46
CCND1 P24385 2/20 0.46
PTK2 Q05397 2/20 0.46
ABL1 P00519 1/20 0.46
ERBB2 P04626 1/20 0.46

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
SCHEMBL4364499 0.86 PDGFRB (0.44) PDGFRBPDGFRACYP2A6IMPDH2MAPT
SCHEMBL229716 0.75 EZH2 (0.59) PDGFRBKDRFLT3AURKAAURKB
SCHEMBL7149485 0.72 CYP2A6 (0.50) PDGFRBKDRFLT4FLT3PLK4
SCHEMBL31213227 0.71 KDR (0.49) PDGFRBKDRFLT4FLT3PLK4
SCHEMBL27494000 0.70 PDGFRB (0.51) PDGFRBKDRFLT4FLT3PLK4
SCHEMBL17179277 0.69 ITK (0.60) PDGFRBKDRFLT3AURKAPDGFRA
SCHEMBL4329785 0.69 KDR (0.70) PDGFRBKDRFLT4FLT3PLK4
SCHEMBL1899742 0.68 SLC22A6 (0.59) PDGFRBPDGFRATUBB4ATUBBTUBA3C
SCHEMBL2476987 0.67 CHEK1 (0.54) PDGFRBKDRPDGFRACDK4CCND1
SCHEMBL26634479 0.67 TUBB1 (0.64) PDGFRBKDRFLT4FLT3PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US disclosed
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP disclosed
US-20120004224-A1 Triheterocyclic Compounds and Compositions Thereof Gemin X Pharmaceuticals Canada Inc. (formerly Gemin X Biotechnologies Inc.) 2012-01-05 US disclosed
US-7709477-B2 Methods for treating cancer GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2010-05-04 US disclosed
EP-1853255-A4 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP disclosed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US disclosed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US disclosed
US-7425553-B2 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-09-16 US disclosed
US-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds GEMIN X BIOTECHNOLOGIES INC. (CA) 2008-03-27 US disclosed
EP-1853255-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS Gemin X Biotechnologies Inc. (CA) 2007-11-14 EP disclosed
WO-2006089397-A1 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-08-31 WO disclosed
EP-1644363-A1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES Gemin X Biotechnologies Inc. (CA) 2006-04-12 EP disclosed
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases INVESTISSEMENT QUEBEC (CA) 2006-02-16 US disclosed
WO-2005117908-A2 TRIHETEROCYCLIC COMPOUNDS COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X BIOTECHNOLOGIES, INC. (CA) 2005-12-15 WO disclosed
US-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases INVESTISSEMENT QUEBEC (CA) 2005-12-01 US disclosed
US-20050014802-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases GEMIN X BIOTECHNOLOGIES INC. 2005-01-20 US disclosed
WO-2004106328-A1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER OR VIRAL DISEASES GEMIN X BIOTECHNOLOGIES INC. (CA) 2004-12-09 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 (7 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-20080318903-A1 METHODS FOR TREATING CANCER HCCS, EIF2AK2, ZC3HAV1 PDGFRB 2972/4885KDR 3293/4885FLT4 2472/4885
US-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds HCAR2, TNF, CD38 PDGFRB 3350/4885KDR 4196/4885FLT4 2947/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA PDGFRB 2992/4885KDR 2590/4885FLT4 2364/4885
US-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 PDGFRB 3191/4885KDR 2644/4885FLT4 2676/4885
US-20050014802-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 PDGFRB 3191/4885KDR 2644/4885FLT4 2676/4885
US-20120004224-A1 Triheterocyclic Compounds and Compositions Thereof ZC3HAV1, HCCS, PCNA PDGFRB 2992/4885KDR 2590/4885FLT4 2364/4885
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 PDGFRB 3191/4885KDR 2644/4885FLT4 2676/4885

“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.