SCHEMBL631686

SCHEMBL631686

CCOC(=O)COC1=CC(c2cc3ccccc3[nH]2)=NC1=Cc1[nH]c(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
USP2 O75604 1/20 0.33
BRD4 O60885 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
KDR P35968 1/20 0.32
LMNA P02545 2/20 0.32
BCL2L1 Q07817 1/20 0.32
ASPH Q12797 1/20 0.32

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
SCHEMBL2750396 1.00 MAPK1 (0.35) MAPK1SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL631685 1.00 MAPK1 (0.35) MAPK1SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL630995 0.90 AURKA (0.37) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA
SCHEMBL630994 0.90 AURKA (0.37) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA
SCHEMBL634321 0.83 BCL2L1 (0.33) ALDH1A1AURKAAURKBBRD4KDR
Obatoclax SCHEMBL631676 0.82 RAB9A (0.41) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA
Obatoclax SCHEMBL2751250 0.82 RAB9A (0.41) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA
Obatoclax SCHEMBL29519876 0.82 RAB9A (0.41) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA
Obatoclax SCHEMBL29354696 0.82 RAB9A (0.41) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA
Obatoclax SCHEMBL631677 0.82 RAB9A (0.41) MAPK1SMN1; SMN2KDM4EALDH1A1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP claimed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US claimed
EP-1853255-A4 METHODS FOR TREATING ARTHRITIS USING TRIHETEROCYCLIC COMPOUNDS GEMIN X PHARMACEUTICALS CANADA (CA) 2009-07-08 EP 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
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 (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-20080318903-A1 METHODS FOR TREATING CANCER HCCS, EIF2AK2, ZC3HAV1 MAPK1 3421/4885SMN1; SMN2 4473/4885KDM4E 3253/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA MAPK1 2632/4885SMN1; SMN2 4478/4885KDM4E 3444/4885
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 MAPK1 3222/4885SMN1; SMN2 4124/4885KDM4E 3856/4885

“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.