SCHEMBL6790904

SCHEMBL6790904

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.64
CSNK1E P49674 3/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
HASPIN Q8TF76 1/20 0.47
MAPK13 O15264 1/20 0.45
EGFR P00533 1/20 0.45
CSNK1D P48730 1/20 0.45
MAPK12 P53778 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL6779673 0.86 MAPK14 (0.62) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6787411 0.85 MAPK14 (0.61) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6610736 0.85 MAPK14 (0.61) MAPK14CSNK1ECCNA2CDK2CDK5
SCHEMBL6772274 0.84 MAPK14 (0.60) MAPK14
SCHEMBL6601861 0.83 MAPK14 (0.59) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6775306 0.83 MAPK14 (0.59) MAPK14MAPK13EGFRCSNK1DMAPK12
SCHEMBL6780701 0.83 MAPK14 (0.59) MAPK14CSNK1EMAPK13MAPK12MAPK11
SCHEMBL6774527 0.83 MAPK14 (0.59) MAPK14CSNK1ECCNT1CCNA2CDK2
SCHEMBL6780704 0.83 MAPK14 (0.58) MAPK14MAPK13CSNK1DMAPK12MAPK11
SCHEMBL6774285 0.83 MAPK14 (0.58) MAPK14MAPK13EGFRCSNK1DMAPK12

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 3429/4885CSNK1E 684/4885CCNT1 1769/4885

“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.