SCHEMBL2750396

SCHEMBL2750396

CCOC(=O)COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[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
SCHEMBL631685 1.00 MAPK1 (0.35) MAPK1SMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL631686 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 16 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
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US 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-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
US-7709477-B2 Methods for treating cancer GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2010-05-04 US disclosed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US 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-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-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
US-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds GEMIN X BIOTECHNOLOGIES INC. (CA) 2008-03-27 US disclosed
US-20080051400-A1 Methods for treating or preventing anemia or thrombocytopenia using a triheterocyclic compound GEMIN X BIOTECHNOLOGIES INC. (CA) 2008-02-28 US disclosed
US-20080051400-A1 Methods for treating or preventing anemia or thrombocytopenia using a triheterocyclic compound GEMIN X BIOTECHNOLOGIES INC. (CA) 2008-02-28 US 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 (5 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-20080076739-A1 Methods for treating arthritis using triheterocyclic compounds HCAR2, TNF, CD38 MAPK1 3540/4885SMN1; SMN2 3785/4885KDM4E 1978/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA MAPK1 2632/4885SMN1; SMN2 4478/4885KDM4E 3444/4885
US-20080051400-A1 Methods for treating or preventing anemia or thrombocytopenia using a triheterocyclic compound MPL, THPO, TTPA MAPK1 4253/4885SMN1; SMN2 3920/4885KDM4E 4600/4885
US-20120004224-A1 Triheterocyclic Compounds and Compositions Thereof ZC3HAV1, HCCS, PCNA MAPK1 2632/4885SMN1; SMN2 4478/4885KDM4E 3444/4885

“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.