Sugi Predict

Sugi Predict / Compounds / SCHEMBL3872980

SCHEMBL3872980

SCHEMBL3872980

COC1=CC(c2ccc[nH]2)=NC1=Cc1[nH]c(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 2/20 0.40
▸ ASPH Q12797 2/20 0.40
▸ BCL2 P10415 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ BCL2A1 Q16548 1/20 0.40
▸ BCL2L2 Q92843 1/20 0.40
▸ BAD Q92934 1/20 0.40
▸ BCL2L10 Q9HD36 1/20 0.40
▸ RET P07949 4/20 0.35
▸ KDR P35968 5/20 0.33
▸ CSF1R P07333 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ FLT1 P17948 2/20 0.32
▸ FGFR3 P22607 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ FLT4 P35916 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ ALK Q9UM73 2/20 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
SCHEMBL13922099 1.00 BCL2L1 (0.40) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL13922100 0.83 GPR84 (0.30) —
SCHEMBL3873747 0.82 EZH2 (0.32) PDGFRB
SCHEMBL3873740 0.82 EZH2 (0.32) PDGFRB
SCHEMBL4043315 0.82 BCL2L1 (0.45) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL4043318 0.82 BCL2L1 (0.45) BCL2L1ASPHBCL2ADORA1MCL1
SCHEMBL14008571 0.82 BCL2L1 (0.45) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL2751250 0.81 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL29519876 0.81 RAB9A (0.41) BCL2L1ASPHBCL2ADORA1MCL1
Obatoclax SCHEMBL631676 0.81 RAB9A (0.41) 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
US-7491745-B2 Pyrrole-Type compounds, compositions and methods for treating cancer or viral disease GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2009-02-17 — — US disclosed
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide GEMIN X BIOTECHNOLOGIES INC. (CA) 2007-02-15 — — US disclosed
US-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases GEMIN X BIOTECHNOLOGIES INC. 2004-01-22 — — 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-20040014987-A1 Pyrrole-Type compounds, compositions, and methods for treating cancer or viral diseases POLI, PYCR1, ZC3HAV1 BCL2L1 3095/4885ASPH 360/4885BCL2 2310/4885
US-20070037856-A1 e.g. 2-Ethyl-11-((3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-10-azabicyclo[7.2.1]dodeca-9(12),11-diene; anticarcinogenic agent; antiproliferative agent, viricide POLI, PCNA, ELL BCL2L1 1310/4885ASPH 2084/4885BCL2 355/4885

“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.