SCHEMBL548421

SCHEMBL548421

c1cc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)nc(-c2nc3ccc(C4=NCCCN4)cc3[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
UBE2N P61088 1/20 0.50
KMT2A Q03164 1/20 0.50
NISCH Q9Y2I1 3/20 0.46
TSHR P16473 1/20 0.46
PRMT1 Q99873 1/20 0.42
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
METAP2 P50579 4/20 0.41
METAP1 P53582 4/20 0.41
CBFB Q13951 3/20 0.40

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
SCHEMBL8164925 1.00 GAA (0.50) GAAMEN1POLBBLMUBE2N
SCHEMBL548420 0.90 NISCH (0.46) GAAMEN1POLBBLMUBE2N
SCHEMBL24312987 0.85 GAA (0.56) GAAMEN1POLBBLMKMT2A
SCHEMBL24313347 0.83 SCD (0.48) GAAMEN1POLBBLMKMT2A
SCHEMBL8677423 0.82 NISCH (0.50) NISCHPRMT1
SCHEMBL548343 0.82 NISCH (0.50) NISCHPRMT1
SCHEMBL548349 0.81 NISCH (0.46) GAANISCHTSHRPRMT1TOP2A
SCHEMBL21900562 0.81 MEN1 (0.59) GAAMEN1POLBBLMKMT2A
SCHEMBL21856214 0.81 MEN1 (0.48) GAAMEN1POLBBLMKMT2A
SCHEMBL24312904 0.80 SCD (0.47) GAAMEN1POLBBLMKMT2A

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 105 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
CN-1829509-A Pharmaceutical composition for treating tumors COMBINATORX INC (US) 2006-09-06 CN 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
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-B1 METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES UNIV NORTH CAROLINA (US) 2003-12-17 EP claimed
EP-0973750-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION The University of North Carolina at Chapel Hill (US) 2000-01-26 EP claimed
US-5972969-A TREATING CANDIDA ALBICANS AND CRYPTOCOCCUS NEOFORMANS INFECTIONS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-10-26 US claimed
WO-1998038170-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE FOR TREATING RETROVIRAL INFECTION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-03 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

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 GAA 371/4885MEN1 397/4885POLB 3145/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC GAA 895/4885MEN1 37/4885POLB 1245/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR GAA 699/4885MEN1 61/4885POLB 1214/4885

“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.