SCHEMBL3501609

SCHEMBL3501609

CC(=O)c1cc(Nc2nc(N)nc(N)n2)cc(C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR68 Q15743 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CGAS Q8N884 1/20 0.45
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PTGS2 P35354 2/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
RHOA P61586 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TERT O14746 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL15806638 0.84 RHOA (0.50) GPR68NPC1RAB9ACGASMAPT
SCHEMBL12112333 0.78 NPC1 (0.47) GPR68NPC1RAB9ACGASMAPT
SCHEMBL3500528 0.78 DNMT1 (0.60) NPC1RAB9AMAPT
SCHEMBL22870704 0.74 ALDH1A1 (0.38) GPR68NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL14817416 0.70 LCK (0.50) GPR68NPC1RAB9ACGASHTT
SCHEMBL12509524 0.70 RHOA (0.43) NPC1RAB9ACGASHTTCA12
SCHEMBL11459535 0.70 RHOA (0.62) NPC1RAB9AHTTCA12CA1
SCHEMBL14817396 0.69 RHOA (0.79) NPC1RAB9AMAPTHTTAKR1C3
SCHEMBL20072315 0.68 ADORA1 (0.43) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL13240421 0.68 NPC1 (0.77) NPC1RAB9AMAPTHTTNPSR1

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 13 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

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 GPR68 3497/4885NPC1 31/4885RAB9A 3554/4885
US-20100137566-A1 Compounds and Methods Used to Treat Infectious Diseases KPNA1, NFATC1, MAVS GPR68 3448/4885NPC1 25/4885RAB9A 3324/4885
US-20020077271-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 GPR68 3497/4885NPC1 31/4885RAB9A 3554/4885
US-20040053815-A1 Compounds and methods of use to treat infectious diseases KPNA1, PHAX, NFATC1 GPR68 3497/4885NPC1 31/4885RAB9A 3554/4885

“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.