Sugi Predict

Sugi Predict / Compounds / SCHEMBL630995

SCHEMBL630995

SCHEMBL630995

CCOC1=CC(c2cc3ccccc3[nH]2)=NC1=Cc1[nH]c(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.37
▸ AURKB Q96GD4 2/20 0.37
▸ ESR1 P03372 2/20 0.36
▸ BCL2L1 Q07817 2/20 0.35
▸ ASPH Q12797 2/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.35
▸ BCL2L2 Q92843 1/20 0.35
▸ BAD Q92934 1/20 0.35
▸ BCL2L10 Q9HD36 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ CASP3 P42574 2/20 0.35
▸ SENP8 Q96LD8 2/20 0.35
▸ SENP7 Q9BQF6 2/20 0.35
▸ SENP6 Q9GZR1 2/20 0.35

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
SCHEMBL630994 1.00 AURKA (0.37) AURKAAURKBESR1BCL2L1ASPH
SCHEMBL631686 0.90 MAPK1 (0.35) AURKAAURKBBCL2L1ASPHMAPT
SCHEMBL2750396 0.90 MAPK1 (0.35) AURKAAURKBBCL2L1ASPHMAPT
SCHEMBL631685 0.90 MAPK1 (0.35) AURKAAURKBBCL2L1ASPHMAPT
Obatoclax SCHEMBL29354696 0.89 RAB9A (0.41) AURKAAURKBESR1BCL2L1ASPH
Obatoclax SCHEMBL29519876 0.89 RAB9A (0.41) AURKAAURKBESR1BCL2L1ASPH
Obatoclax SCHEMBL631677 0.89 RAB9A (0.41) AURKAAURKBESR1BCL2L1ASPH
Obatoclax SCHEMBL631676 0.89 RAB9A (0.41) AURKAAURKBESR1BCL2L1ASPH
Obatoclax SCHEMBL2751250 0.89 RAB9A (0.41) AURKAAURKBESR1BCL2L1ASPH
SCHEMBL630929 0.87 BCL2L1 (0.37) AURKAAURKBESR1BCL2L1ASPH

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 5 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-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 AURKA 2874/4885AURKB 2235/4885ESR1 2390/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA AURKA 2412/4885AURKB 2462/4885ESR1 2717/4885

“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.