SCHEMBL630929

SCHEMBL630929

Cc1cc(C)c(C=C2N=C(c3cc4ccccc4[nH]3)C=C2OC(C)C)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.37
ASPH Q12797 2/20 0.37
BCL2 P10415 1/20 0.37
ADORA1 P30542 1/20 0.37
MCL1 Q07820 1/20 0.37
BCL2A1 Q16548 1/20 0.37
BCL2L2 Q92843 1/20 0.37
BAD Q92934 1/20 0.37
BCL2L10 Q9HD36 1/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 2/20 0.36
ESR1 P03372 2/20 0.35
MAPT P10636 5/20 0.34
KDM4E B2RXH2 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 4/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34

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
SCHEMBL630928 1.00 BCL2L1 (0.37) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL29354696 0.89 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL631677 0.89 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL631676 0.89 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL29519876 0.89 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL2751250 0.89 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630547 0.87 PDPK1 (0.34) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630822 0.87 CYP1A1 (0.39) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630548 0.87 PDPK1 (0.34) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL630826 0.87 RET (0.34) 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 3 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

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 BCL2L1 662/4885ASPH 503/4885BCL2 129/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA BCL2L1 709/4885ASPH 850/4885BCL2 267/4885

“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.