SCHEMBL6780607

SCHEMBL6780607

CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(NCc2ccc(C)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
MKNK1 Q9BUB5 1/20 0.46
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK10 P53779 1/20 0.41
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
MATK P42679 1/20 0.40
FRK P42685 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40

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
SCHEMBL6780704 0.96 MAPK14 (0.58) MAPK14MKNK1MAPK13MAPK12MAPK11
SCHEMBL6608979 0.92 MAPK14 (0.55) MAPK14MKNK1MAPK13MAPK12MAPK11
SCHEMBL6786912 0.91 MAPK14 (0.53) MAPK14MKNK1MAPK13MAPK12MAPK11
SCHEMBL6787411 0.86 MAPK14 (0.61) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL6790123 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6790483 0.83 DYRK1A (0.48) MAPK14MKNK1MAPK13MAPK12MAPK11
SCHEMBL6781430 0.81 MAPK14 (0.56) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL6769842 0.81 MAPK14 (0.56) MAPK14BRD4BRDT
SCHEMBL6780602 0.81 MAPK14 (0.55) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL6790904 0.80 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11CSNK1D

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 3429/4885MKNK1 4249/4885BRD4 389/4885

“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.