SCHEMBL630827

SCHEMBL630827

Cc1cc(C)c(C=C2N=C(c3cc4ccc(Cl)cc4[nH]3)C=C2OC(C)C)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.34
ALOX15 P16050 2/20 0.32
BCL2 P10415 1/20 0.32
ADORA1 P30542 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
BCL2A1 Q16548 1/20 0.32
BCL2L2 Q92843 1/20 0.32
BAD Q92934 1/20 0.32
BCL2L10 Q9HD36 1/20 0.32
ASPH Q12797 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL630826 1.00 RET (0.34) RETALOX15BCL2ADORA1BCL2L1
SCHEMBL630547 0.89 PDPK1 (0.34) BCL2ADORA1BCL2L1MCL1BCL2A1
SCHEMBL630548 0.89 PDPK1 (0.34) BCL2ADORA1BCL2L1MCL1BCL2A1
SCHEMBL630929 0.87 BCL2L1 (0.37) RETALOX15BCL2ADORA1BCL2L1
SCHEMBL630928 0.87 BCL2L1 (0.37) RETALOX15BCL2ADORA1BCL2L1
SCHEMBL2750129 0.83 CYP1A1 (0.39) BCL2ADORA1BCL2L1MCL1BCL2A1
SCHEMBL630821 0.83 CYP1A1 (0.39) BCL2ADORA1BCL2L1MCL1BCL2A1
SCHEMBL630822 0.83 CYP1A1 (0.39) BCL2ADORA1BCL2L1MCL1BCL2A1
SCHEMBL631428 0.78 BCL2L1 (0.33) BCL2ADORA1BCL2L1MCL1BCL2A1
SCHEMBL631427 0.78 BCL2L1 (0.33) BCL2ADORA1BCL2L1MCL1BCL2A1

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 4 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
EP-1644363-B1 TRIHETEROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC (CA) 2012-02-22 EP disclosed
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases INVESTISSEMENT QUEBEC (CA) 2006-02-16 US disclosed
US-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases INVESTISSEMENT QUEBEC (CA) 2005-12-01 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 (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-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 RET 924/4885ALOX15 855/4885BCL2 201/4885
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 RET 924/4885ALOX15 855/4885BCL2 201/4885

“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.