Sugi Predict

Sugi Predict / Compounds / SCHEMBL1401622

SCHEMBL1401622

SCHEMBL1401622

Clc1cc(Oc2c(Cl)cccc2Cl)nc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ RARG P13631 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CAMK2A Q9UQM7 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32

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
SCHEMBL18951960 0.76 MEN1 (0.50) KDM4ECYP1A2CYP2C19NPSR1KMT2A
SCHEMBL28246447 0.74 CYP1A2 (0.47) LMNACYP1A2KMT2AMEN1ALDH1A1
SCHEMBL3406517 0.74 KMO (0.42) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL28431150 0.69 MEN1 (0.47) KDM4EKMT2AMEN1ALDH1A1HTT
SCHEMBL18153300 0.69 MEN1 (0.51) KDM4ECYP1A2CYP2C19KMT2AMEN1
SCHEMBL10868315 0.68 CYP1A2 (0.38) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL10868317 0.68 GRM5 (0.41) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL7071680 0.67 GRM5 (0.40) KMT2AMEN1
SCHEMBL2339978 0.67 ALDH1A1 (0.47) KDM4ELMNACYP1A2ALDH1A1HTT
SCHEMBL20733629 0.67 MEN1 (0.32) KDM4ELMNAKMT2AMEN1ALDH1A1

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 20 patents. 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-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 — — 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
EP-0945443-B9 HIV inhibiting pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2003-08-13 — — EP 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-0945442-A1 Trisubstituted pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1999-09-29 — — EP 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 (5 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 KDM4E 859/4885LMNA 2920/4885CYP1A2 316/4885
US-20050192305-A1 HIV inhibiting pyrimidine derivatives NR4A1, CCR5, NR4A3 KDM4E 1052/4885LMNA 3546/4885CYP1A2 134/4885
US-20010011094-A1 HIV inhibiting pyrimidine derivatives CBR1, CCR1, NR4A1 KDM4E 945/4885LMNA 2870/4885CYP1A2 227/4885
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 KDM4E 871/4885LMNA 2854/4885CYP1A2 244/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 KDM4E 2137/4885LMNA 2758/4885CYP1A2 2761/4885

“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.