SCHEMBL6780737

SCHEMBL6780737

CCOCn1nnc(-c2cnc(NCc3ccccc3)n2C)c1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.61
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 4/20 0.61
TP53 P04637 3/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALOX12 P18054 1/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
MAPK14 Q16539 1/20 0.52

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
SCHEMBL6645694 0.93 GAA (0.61) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6773031 0.80 MAPK14 (0.54) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6783086 0.78 MAPK14 (0.52) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6603309 0.77 ATP1A1 (0.56) MAPK14
SCHEMBL6897328 0.76 MAPK14 (0.52) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6608979 0.75 MAPK14 (0.55) MAPK14
SCHEMBL7217592 0.73 GAA (0.90) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6769766 0.73 MAPK14 (0.54) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6781540 0.73 MAPK14 (0.52) GAAKDM4EALDH1A1TP53ALOX15
SCHEMBL6617172 0.71 MAPK14 (0.52) GAAKDM4EALDH1A1TP53ALOX15

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 GAA 1337/4885KDM4E 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.