SCHEMBL6897328

SCHEMBL6897328

CCOCn1nnc(-c2ccc(F)cc2)c1-c1cnc(NCc2ccccc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.52
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 2/20 0.38
CDC7 O00311 3/20 0.37
CDK2 P24941 3/20 0.37
DAPK3 O43293 2/20 0.37
ROCK2 O75116 2/20 0.37

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
SCHEMBL6889077 0.80 MAPK14 (0.54) MAPK14ALDH1A1TSHRHSD17B10MAPK13
SCHEMBL6645694 0.80 GAA (0.61) MAPK14KDM4EALDH1A1MAPK1GAA
SCHEMBL6897325 0.79 MAPK14 (0.53) MAPK14MAPK1MAPK13MAPK12MAPK11
SCHEMBL6608979 0.79 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6781540 0.76 MAPK14 (0.52) MAPK14KDM4EALDH1A1MAPK1GAA
SCHEMBL6780737 0.76 GAA (0.61) MAPK14KDM4EALDH1A1MAPK1GAA
SCHEMBL6780704 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6780607 0.71 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL6775564 0.70 MAPK14 (0.56) MAPK14ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL27597978 0.70 KDM4E (0.42) MAPK14KDM4EALDH1A1MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3429/4885KDM4E 3477/4885ALDH1A1 289/4885

“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.