SCHEMBL549218

SCHEMBL549218

c1cc2[nH]c(-c3ccc(-c4nc5cc(C6=NCCN6)ccc5[nH]4)o3)nc2cc1C1=NCCN1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.56
TOP2B Q02880 6/20 0.56
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NISCH Q9Y2I1 3/20 0.50
PRMT1 Q99873 4/20 0.47
PRMT3 O60678 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
PRMT8 Q9NR22 1/20 0.46

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
SCHEMBL8842675 0.90 TOP2A (0.56) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL13167162 0.86 TOP2A (0.63) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL8477719 0.85 NISCH (0.55) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL13204584 0.85 NISCH (0.54) TOP2ATOP2BNISCHPRMT1
SCHEMBL548359 0.84 NISCH (0.52) NISCHPRMT1
SCHEMBL13167160 0.84 ALDH1A1 (0.65) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL14089884 0.82 TOP2A (0.54) TOP2ATOP2BALDH1A1CYP1A2HPGD
SCHEMBL548343 0.82 NISCH (0.50) NISCHPRMT1
SCHEMBL8677423 0.82 NISCH (0.50) NISCHPRMT1
SCHEMBL14599548 0.81 PRMT1 (0.49) NISCHPRMT1

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
EP-1651211-A4 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX INC (US) 2006-11-22 EP claimed
EP-1651211-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2006-05-03 EP claimed
CN-1681511-A Combinations of drugs for the treatment of neoplasms COMBINATORX INC (US) 2005-10-12 CN claimed
EP-1545544-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS Combinatorx, Incorporated (US) 2005-06-29 EP claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
EP-0973750-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION UNIV NORTH CAROLINA (US) 2004-04-21 EP claimed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
WO-2004006849-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO claimed
EP-0831832-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-01 EP claimed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO claimed
WO-1996040145-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO claimed
EP-1891013-B1 TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-07-23 EP disclosed
US-8524732-B2 Substituted tetrahydroquinolines MERCK PATENT GMBH (DE) 2013-09-03 US disclosed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
WO-1996040145-A1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 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 (3 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 TOP2A 59/4885TOP2B 104/4885ALDH1A1 571/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC TOP2A 63/4885TOP2B 43/4885ALDH1A1 662/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR TOP2A 156/4885TOP2B 125/4885ALDH1A1 1543/4885

“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.