SCHEMBL1183306

SCHEMBL1183306

Cc1cc(C)c(Nc2cc(Cl)nc(Cl)n2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 17/20 0.48

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
SCHEMBL8484401 0.86 RAPGEF4 (0.48) RAPGEF4
SCHEMBL1193784 0.83 MAPT (0.50) RAPGEF4
SCHEMBL1183435 0.83 RAPGEF4 (0.45) RAPGEF4
SCHEMBL31484133 0.79 RAPGEF4 (0.41) RAPGEF4
SCHEMBL10303879 0.78 RAPGEF4 (0.64) RAPGEF4
SCHEMBL1182131 0.76 RAPGEF4 (0.45) RAPGEF4
SCHEMBL14940191 0.76 RAPGEF4 (0.54) RAPGEF4
SCHEMBL14940545 0.76 RAPGEF4 (0.54) RAPGEF4
SCHEMBL9870182 0.75 MAPT (0.49)
SCHEMBL5447308 0.71 RAPGEF4 (0.48) RAPGEF4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026248-B2 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-27 US disclosed
EP-1245567-B1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-03-02 EP disclosed
US-7887845-B2 Particle of a solid dispersion composed of a water soluble polymer and etravirine or salt thereof; etravirine FDA Orange book listed patent JANSSEN PHARMACEUTICA NV (BE) 2011-02-15 US disclosed
US-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 US disclosed
US-20070196478-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2007-08-23 US disclosed
US-7241458-B1 Antiviral compositions JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20060127487-A1 Antiviral compositions VERRECK GEERT 2006-06-15 US disclosed
EP-1225874-B1 ANTIVIRAL SOLID DISPERSIONS JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 EP disclosed
US-20050197354-A1 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS ANDRIES KOENRAAD JOZEF L M (BE) 2005-09-08 US disclosed
US-20050192305-A1 HIV inhibiting pyrimidine derivatives ANDRIES KOENRAAD JOZEF L M (BE) 2005-09-01 US disclosed
US-20030083317-A1 HIV inhibiting pyrimidine derivatives ANDRIES KOENRAAD JOZEF LODEWIJ (BE) 2003-05-01 US disclosed
EP-0945443-B1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2003-02-12 EP disclosed
EP-1245567-A1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2002-10-02 EP disclosed
US-6440986-B2 VIRICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2002-08-27 US disclosed
EP-1225874-A1 ANTIVIRAL COMPOSITIONS Janssen Pharmaceutica N.V. (BE) 2002-07-31 EP disclosed
US-20010011094-A1 HIV inhibiting pyrimidine derivatives ANDRIES KOENRAAD JOZEF LODEWIJ (BE) 2001-08-02 US disclosed
WO-2001022938-A1 ANTIVIRAL COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-04-05 WO disclosed
US-6197779-B1 VIRICIDE JANSSEN PHARMACEUTICA, INC. 2001-03-06 US disclosed
WO-1999050250-A1 HIV INHIBITING PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO disclosed
EP-0945443-A1 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-29 EP 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 (7 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-20030083317-A1 HIV inhibiting pyrimidine derivatives CBR1, CCR1, CXCR1 RAPGEF4 4352/4885
US-20070196478-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 RAPGEF4 2464/4885
US-20050192305-A1 HIV inhibiting pyrimidine derivatives NR4A1, CCR5, NR4A3 RAPGEF4 3236/4885
US-20010011094-A1 HIV inhibiting pyrimidine derivatives CBR1, CCR1, NR4A1 RAPGEF4 4159/4885
US-20050197354-A1 4-[[4-[(2,6-dichloro-phenyl)methyl]-6-[[2-(1-pyrrolidinyl)ethyl]amino]-2-pyrimidinyl]amino]benzonitrile; 4-[[4-[(2,4,6-trimethylphenyl)amino]-2-pyrimidinyl]amino]benzamide, N1-oxide combined with another retrovirus inhibitor; viricides; treatment of AIDS HAVCR2, CBR1, NR4A1 RAPGEF4 2882/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 RAPGEF4 2464/4885
US-20060127487-A1 Antiviral compositions EIF2AK2, ZC3HAV1, RPL35 RAPGEF4 2464/4885

“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.