SCHEMBL6811930

SCHEMBL6811930

CN(c1ccccc1)c1ccc(N)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
EGFR P00533 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.42
CHKA P35790 2/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NFKB1 P19838 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
SCHEMBL22453194 0.79 FSCN1 (0.46) CYP3A4ALDH1A1TDP1GAAALOX15
SCHEMBL23720055 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19EGFRALDH1A1
SCHEMBL11420100 0.77 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL29793551 0.77 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL4572683 0.77 POLB (0.44) EGFRHTTTSHRCHKAKDM4E
SCHEMBL29556362 0.77 POLB (0.44) EGFRHTTTSHRCHKAKDM4E
SCHEMBL2284135 0.77 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL22221355 0.76 EGFR (0.45) CYP3A4CYP2C9CYP2C19EGFRALDH1A1
SCHEMBL21186206 0.76 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19ALDH1A1TDP1
SCHEMBL27648725 0.76 CSF1R (0.47) EGFRALDH1A1TDP1CHKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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 (1 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 CYP3A4 1087/4885CYP2C9 1357/4885CYP2C19 2905/4885

“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.