SCHEMBL6790478

SCHEMBL6790478

CCOCn1nnc(-c2ccc(Cl)cc2)c1-c1ccnc(N(C)c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP19A1 P11511 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
CHKA P35790 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
SLC2A1 P11166 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL6783577 0.93 MAPK14 (0.44) MAPK14CDK2GSK3BDYRK1ACYP19A1
SCHEMBL6608972 0.91 MAPK14 (0.56) MAPK14CDK2GSK3BDYRK1A
SCHEMBL6895713 0.90 MAPK14 (0.43) MAPK14CYP19A1MEN1KMT2ANPC1
SCHEMBL6780701 0.85 MAPK14 (0.59) MAPK14
SCHEMBL6612309 0.83 MAPK14 (0.54) MAPK14CYP19A1KDM4EL3MBTL1
SCHEMBL6784447 0.82 MAPK14 (0.39) MAPK14CDK2GSK3BDYRK1AKDM4E
SCHEMBL6780602 0.82 MAPK14 (0.55) MAPK14
SCHEMBL6768581 0.82 MAPK14 (0.44) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL6786906 0.81 MAPK14 (0.53) MAPK14
SCHEMBL6895717 0.78 MKNK1 (0.42) MAPK14CDK2DYRK1ACYP19A1MEN1

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 3429/4885CDK2 3418/4885GSK3B 2921/4885

“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.