SCHEMBL3500154

SCHEMBL3500154

CC(=O)c1cccc(Nc2cc(C)nc(N)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 1/20 0.62
DNMT1 P26358 5/20 0.59
DNMT3L Q9UJW3 4/20 0.59
DNMT3A Q9Y6K1 4/20 0.59
EHMT1 Q9H9B1 2/20 0.59
TP53 P04637 2/20 0.55
NPC1 O15118 2/20 0.54
RAD52 P43351 1/20 0.53
RAB9A P51151 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ROCK1 Q13464 2/20 0.52
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13963126 0.92 CYP1A2 (0.57) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
SCHEMBL13963099 0.89 ROCK1 (0.66) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
SCHEMBL12240383 0.89 TP53 (0.69) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
Hydrochloric Acid SCHEMBL4523591 0.88 ROCK1 (0.64) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
Hydrochloric Acid SCHEMBL2537439 0.88 TP53 (0.67) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
SCHEMBL3500528 0.86 DNMT1 (0.60) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
Trifluoroacetic Acid SCHEMBL4529644 0.85 CYP1A2 (0.52) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
SCHEMBL3501270 0.85 DNMT1 (0.75) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
SCHEMBL13963133 0.83 CYP1A2 (0.58) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A
SCHEMBL12240489 0.83 DNMT1 (0.72) CYP1A2CYP2D6DNMT1DNMT3LDNMT3A

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 CYP1A2 2665/4885CYP2D6 3362/4885DNMT1 2539/4885
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases KPNA1, NFATC1, MAVS CYP1A2 2824/4885CYP2D6 3706/4885DNMT1 2519/4885
US-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 CYP1A2 2665/4885CYP2D6 3362/4885DNMT1 2539/4885
US-20040053815-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 CYP1A2 2665/4885CYP2D6 3362/4885DNMT1 2539/4885

“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.