SCHEMBL6613288

SCHEMBL6613288

CCOCn1nnc(-c2ccnc(Cl)n2)c1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.54
CYP19A1 P11511 2/20 0.36
GRM5 P41594 1/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SREBF2 Q12772 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 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
SCHEMBL6612309 0.91 MAPK14 (0.54) MAPK14CYP19A1P2RX7MAPTL3MBTL1
SCHEMBL6773679 0.84 MAPK14 (0.44) MAPK14CYP19A1MAPTL3MBTL1ALDH1A1
SCHEMBL6783577 0.83 MAPK14 (0.44) MAPK14CYP19A1DYRK1A
SCHEMBL6783578 0.82 DYRK1A (0.48) MAPK14CYP19A1ALDH1A1HPGDCLK1
SCHEMBL6772984 0.81 MAPK14 (0.44) MAPK14MAPT
SCHEMBL6768581 0.75 MAPK14 (0.44) MAPK14MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL6790478 0.74 MAPK14 (0.44) MAPK14CYP19A1L3MBTL1KDM4EDYRK1A
SCHEMBL6895713 0.74 MAPK14 (0.43) MAPK14CYP19A1MAPTL3MBTL1KDM4E
SCHEMBL6895717 0.72 MKNK1 (0.42) MAPK14CYP19A1CLK1CLK2DYRK1A
SCHEMBL6895721 0.72 MAPK14 (0.54) MAPK14DYRK1ACLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787555-B2 SUCH AS 4-(4-FLUOROPHENYL)-5-(2-PHENYLMETHYLAMINO)PYRIMIDIN-4-YL)-1-ETHOXYMETHYL -(1,2,3)TRIAZOLE FOR INHIBITION OF RELEASE OF INFLAMMATORY INTERLEUKINS; FOR TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, AND CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY 2004-09-07 US disclosed
EP-1392681-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2004-03-03 EP disclosed
US-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-29 US disclosed
WO-2002088113-A1 TRIAZOLE COMPOUNDS USEFUL IN TREATING DISEASES ASSOCIATED WITH UNWANTED CYTOKINE ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2002-11-07 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-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity IL4, IL1A, IL2 MAPK14 3429/4885CYP19A1 1857/4885GRM5 3472/4885

“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.