SCHEMBL630548

SCHEMBL630548

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.34
KDR P35968 1/20 0.34
CDK5 Q00535 5/20 0.33
CDK5R1 Q15078 5/20 0.33
BCL2L1 Q07817 2/20 0.32
ASPH Q12797 2/20 0.32
BCL2 P10415 1/20 0.32
ADORA1 P30542 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

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
SCHEMBL630547 1.00 PDPK1 (0.34) PDPK1KDRCDK5CDK5R1BCL2L1
SCHEMBL630826 0.89 RET (0.34) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630827 0.89 RET (0.34) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630928 0.87 BCL2L1 (0.37) PDPK1KDRBCL2L1ASPHBCL2
SCHEMBL630929 0.87 BCL2L1 (0.37) PDPK1KDRBCL2L1ASPHBCL2
SCHEMBL630821 0.83 CYP1A1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630822 0.83 CYP1A1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL2750129 0.83 CYP1A1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL631428 0.82 BCL2L1 (0.33) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL631427 0.82 BCL2L1 (0.33) BCL2L1ASPHBCL2ADORA1MCL1

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 6 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
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 (4 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 PDPK1 3188/4885KDR 3293/4885CDK5 49/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA PDPK1 2560/4885KDR 2590/4885CDK5 187/4885
US-20050267073-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 PDPK1 3297/4885KDR 2644/4885CDK5 180/4885
US-20060035945-A1 Triheterocyclic compounds, compositions, and methods for treating cancer or viral diseases ZC3HAV1, HCCS, HAVCR2 PDPK1 3297/4885KDR 2644/4885CDK5 180/4885

“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.