SCHEMBL1193784

SCHEMBL1193784

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
POLA1 P09884 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 1/20 0.50
RAPGEF4 Q8WZA2 7/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
RAB9A P51151 1/20 0.43
AGPAT2 O15120 2/20 0.41

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
SCHEMBL3723047 0.85 KMT2A (0.56) MAPTPOLA1POLBGAASMN1; SMN2
SCHEMBL8484401 0.83 RAPGEF4 (0.48) POLBGAAKMT2ARAPGEF4NPC1
SCHEMBL1183306 0.83 RAPGEF4 (0.48) RAPGEF4
SCHEMBL1183435 0.77 RAPGEF4 (0.45) RAPGEF4
SCHEMBL3233125 0.77 MAPT (0.70) MAPTPOLA1POLBGAASMN1; SMN2
SCHEMBL10303879 0.76 RAPGEF4 (0.64) RAPGEF4
SCHEMBL3719304 0.74 KMT2A (0.72) MAPTPOLA1POLBGAASMN1; SMN2
SCHEMBL14050066 0.73 POLA1 (0.61) MAPTPOLA1POLBGAASMN1; SMN2
SCHEMBL29608945 0.73 POLA1 (0.61) MAPTPOLA1POLBGAASMN1; SMN2
SCHEMBL16380596 0.73 POLA1 (0.75) MAPTPOLA1POLBGAASMN1; 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 21 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
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-6903213-B2 HIV inhibiting pyrimidine derivatives ANDRIES KOENRAAD JOZEF LODEWIJ (BE) 2005-06-07 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 (6 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 MAPT 4593/4885POLA1 810/4885POLB 979/4885
US-20070196478-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 MAPT 879/4885POLA1 342/4885POLB 223/4885
US-20050192305-A1 HIV inhibiting pyrimidine derivatives NR4A1, CCR5, NR4A3 MAPT 4739/4885POLA1 2705/4885POLB 2027/4885
US-20010011094-A1 HIV inhibiting pyrimidine derivatives CBR1, CCR1, NR4A1 MAPT 4564/4885POLA1 817/4885POLB 930/4885
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 MAPT 4813/4885POLA1 846/4885POLB 797/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 MAPT 879/4885POLA1 342/4885POLB 223/4885

“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.