SCHEMBL6786906

SCHEMBL6786906

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.53
MET P08581 1/20 0.38
MAPT P10636 1/20 0.38
MAPK10 P53779 5/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
BRD4 O60885 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34

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 0.94 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6780602 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL6608972 0.90 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6768633 0.84 MAPK14 (0.56) MAPK14MAPTALDH1A1CYP1A2HSD17B10
SCHEMBL6779673 0.82 MAPK14 (0.62) MAPK14CYP1A2MAPK13MAPK12MAPK11
SCHEMBL6786912 0.81 MAPK14 (0.53) MAPK14METMAPTMAPK10ALDH1A1
SCHEMBL6790478 0.81 MAPK14 (0.44) MAPK14
SCHEMBL6772274 0.80 MAPK14 (0.60) MAPK14MAPTBRD4
SCHEMBL6790904 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6773931 0.79 MAPK14 (0.54) MAPK14BRD4

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 3 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

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 3429/4885MET 976/4885MAPT 4604/4885

“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.