SCHEMBL3500528

SCHEMBL3500528

CC(=O)c1cc(Nc2cc(C)nc(N)n2)cc(C(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.60
DNMT3L Q9UJW3 5/20 0.60
DNMT3A Q9Y6K1 5/20 0.60
MAPT P10636 1/20 0.59
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
GAA P10253 1/20 0.55
ATM Q13315 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
ROCK2 O75116 2/20 0.47
EHMT1 Q9H9B1 3/20 0.44
MYC P01106 1/20 0.44
MAP2K3 P46734 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL3501270 0.87 DNMT1 (0.75) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL3500154 0.86 CYP1A2 (0.62) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL13312580 0.85 DNMT1 (0.58) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL13963126 0.79 CYP1A2 (0.57) DNMT1DNMT3LDNMT3ACYP1A2CYP2D6
SCHEMBL12240925 0.78 DNMT1 (0.75) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL12240493 0.78 DNMT1 (0.75) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL13963095 0.78 DNMT1 (0.75) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL3501609 0.78 GPR68 (0.51) MAPTRAB9ANPC1
SCHEMBL13963099 0.77 ROCK1 (0.66) DNMT1DNMT3LDNMT3AMAPTCYP1A2
SCHEMBL12240383 0.77 TP53 (0.69) DNMT1DNMT3LDNMT3AMAPTCYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases CYTOKINE PHARMASCIENCES, INC (US) 2010-06-03 US disclosed
US-20060014760-A1 Compounds and methods of use to treat infectious diseases BUKRINSKY MICHAEL I 2006-01-19 US disclosed
US-6906076-B2 Compounds and methods of use to treat infectious diseases CYTOKINE PHARMASCIENCES, INC. (US) 2005-06-14 US disclosed
US-20040053815-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2004-03-18 US disclosed
EP-0865434-B1 COMPOUNDS AND THEIR USE TO TREAT INFECTIOUS DISEASES PICOWER INST MED RES (US) 2003-12-17 EP disclosed
US-6649797-B2 Contacting protein with a compound that is capable of stable reversible binding with basic amino acid residues of nuclear localization signal of protein for inactivating a nuclear localization signal of a protein THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2003-11-18 US disclosed
US-20020077271-A1 Compounds and methods of use to treat infectious diseases FERRING BV (NL) 2002-06-20 US disclosed
US-6297253-B1 INACTIVATING A NUCLEAR LOCALIZATION SIGNAL OF A PROTEIN COMPRISING CONTACTING THE PROTEIN WITH AN ARYL CARBONYL COMPOUND THAT FORMS STABLE REVERSIBLE COVALENT INTERACTIONS WITH NEIGHBORING BASIC AMINO ACID RESIDUES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-10-02 US disclosed
US-5840893-A TREATING MALARIA, HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-11-24 US disclosed
EP-0865434-A1 COMPOUNDS AND METHODS OF USE TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-09-23 EP disclosed
EP-0865434-A4 1998-09-23 EP disclosed
WO-1998016515-A1 COMPOUNDS AND METHODS TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-04-23 WO disclosed
US-5733932-A VIRICIDES MARKING AND BLOCKING SPECIFIC VIRAL PROTEINS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-03-31 US disclosed
US-5703086-A TREATMENT OF HIV INFECTIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-12-30 US disclosed
US-5620983-A BLOCKING MOVEMENT OF VIRAL GENOME PARTICLES THROUGH NUCLEAR MEMBRANE IN TERMINALLY DIFFERENTIATED CELLS TO PREVENT VIRAL INFECTIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-04-15 US disclosed
US-5574040-A DIALKANOYLPHENYLPYRIMIDINE DERIVATIVES PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-11-12 US disclosed
WO-1996020932-A1 COMPOUNDS AND METHODS OF USE TO TREAT INFECTIOUS DISEASES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-07-11 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 (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-20060014760-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 DNMT1 2539/4885DNMT3L 2834/4885DNMT3A 3537/4885
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases KPNA1, NFATC1, MAVS DNMT1 2519/4885DNMT3L 2991/4885DNMT3A 3582/4885
US-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 DNMT1 2539/4885DNMT3L 2834/4885DNMT3A 3537/4885
US-20040053815-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 DNMT1 2539/4885DNMT3L 2834/4885DNMT3A 3537/4885

“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.