SCHEMBL6320686

SCHEMBL6320686

OC(CCl)c1ncccn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.33
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PTPRA P18433 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL27514366 0.75 CYP2D6 (0.32) CYP2D6KDM4EPTPRA
SCHEMBL18115388 0.75 LMNA (0.44) CYP2D6KDM4EPTPRA
SCHEMBL5763081 0.73 SLC6A2 (0.45) CYP2D6KDM4E
SCHEMBL5762413 0.73 SLC6A2 (0.45) CYP2D6KDM4E
SCHEMBL5762415 0.73 SLC6A2 (0.45) CYP2D6KDM4E
SCHEMBL12479150 0.71 ADORA2A (0.37) CYP2D6KDM4E
SCHEMBL20819406 0.70 LMNA (0.37) CYP2D6KDM4E
SCHEMBL20832722 0.70 LMNA (0.37) CYP2D6KDM4E
SCHEMBL6284708 0.70 TSHR (0.46) CYP2D6KDM4E
SCHEMBL6287348 0.70 HIF1A (0.44) CYP2D6KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6909001-B2 Method of making tricyclic aminocyanopyridine compounds PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-6861438-B2 Antiviral agents PFIZER (US) 2005-03-01 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040242884-A1 ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY 2004-12-02 US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
EP-1467999-A1 OXOTHIENO[3,2-B]PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
EP-1458719-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2004-09-22 EP disclosed
US-20040138449-A1 Antiviral agents PHARMACIA & UPJOHN COMPANY 2004-07-15 US disclosed
US-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
US-20030207877-A1 Pyridoquinoxaline antivirals PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003059912-A1 OXOTHIENO (3, 2-B) PYRIDINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed
WO-2003053971-A1 PYRIDOQUINOXALINE ANTIVIRALS PHARMACIA & UPJOHN COMPANY (US) 2003-07-03 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 (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-20030207877-A1 Pyridoquinoxaline antivirals IFNAR1, SARS1, ZC3HAV1 HDAC8 2654/4885CYP2D6 194/4885KDM4E 1145/4885
US-20040242884-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, IRF3, IFNAR1 HDAC8 428/4885CYP2D6 1361/4885KDM4E 1156/4885
US-20040110787-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 HDAC8 732/4885CYP2D6 1952/4885KDM4E 775/4885
US-20040138449-A1 Antiviral agents IRF3, IFNAR1, EIF2AK2 HDAC8 448/4885CYP2D6 1364/4885KDM4E 1593/4885

“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.