SCHEMBL3497476

SCHEMBL3497476

CC(=O)c1cc(Nc2ncnc3nc[nH]c23)cc(C(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.64
▸ TOP2A P11388 2/20 0.64
▸ MKNK1 Q9BUB5 3/20 0.62
▸ RAB9A P51151 6/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ NPC1 O15118 5/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ TP53 P04637 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ LCK P06239 1/20 0.56
▸ HTT P42858 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ GFER P55789 1/20 0.55
▸ MAPT P10636 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51

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
SCHEMBL3497474 0.80 TTBK1 (0.47) BRAFTOP2AMKNK1RAB9ASMN1; SMN2
SCHEMBL4922091 0.76 RAB9A (0.63) BRAFTOP2AMKNK1RAB9ASMN1; SMN2
SCHEMBL4921690 0.76 MKNK1 (0.73) BRAFTOP2AMKNK1RAB9ASMN1; SMN2
SCHEMBL29475418 0.75 BRAF (0.72) BRAFRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL536913 0.75 BRAF (0.72) BRAFRAB9ASMN1; SMN2NPC1HSD17B10
SCHEMBL4921756 0.73 PRMT1 (0.70) BRAFTOP2AMKNK1SMN1; SMN2HSD17B10
SCHEMBL5241436 0.73 TSHR (0.54) BRAFMKNK1RAB9ASMN1; SMN2NPC1
SCHEMBL4926098 0.73 MKNK1 (0.73) BRAFTOP2AMKNK1RAB9ASMN1; SMN2
SCHEMBL4924939 0.72 MKNK1 (0.59) BRAFTOP2AMKNK1RAB9ASMN1; SMN2
SCHEMBL1060507 0.72 MKNK1 (0.72) BRAFTOP2AMKNK1RAB9ASMN1; SMN2

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 14 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
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

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 BRAF 4006/4885TOP2A 2683/4885MKNK1 2094/4885
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases KPNA1, NFATC1, MAVS BRAF 3936/4885TOP2A 2621/4885MKNK1 2077/4885
US-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 BRAF 4006/4885TOP2A 2683/4885MKNK1 2094/4885
US-20040053815-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 BRAF 4006/4885TOP2A 2683/4885MKNK1 2094/4885

“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.

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