SCHEMBL6608972

SCHEMBL6608972

CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(N(C)c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.56
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL6780701 0.95 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6780602 0.92 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6790478 0.91 MAPK14 (0.44) MAPK14CDK2GSK3BDYRK1A
SCHEMBL6786906 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6784447 0.84 MAPK14 (0.39) MAPK14CDK2GSK3BDYRK1AMAPK13
SCHEMBL6783577 0.83 MAPK14 (0.44) MAPK14CDK2GSK3BDYRK1A
SCHEMBL6624696 0.82 MAPK14 (0.57) MAPK14SCN9A
SCHEMBL6775564 0.81 MAPK14 (0.56) MAPK14
SCHEMBL6781430 0.81 MAPK14 (0.56) MAPK14CDK2GSK3BMAPK13MAPK12
SCHEMBL6774527 0.81 MAPK14 (0.59) MAPK14CDK2MAPK13MAPK12MAPK11

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 6 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 claimed
US-20030100558-A1 Triazole compounds useful in treating diseases associated with unwanted cytokine activity PROCTER & GAMBLE COMPANY, THE 2003-05-29 US claimed
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 3429/4885PTGS1 388/4885PTGS2 798/4885

“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.