SCHEMBL6794598

SCHEMBL6794598

Fc1ccc(-c2ncn(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.61
JAK2 O60674 10/20 0.59
EGFR P00533 2/20 0.57
PLK4 O00444 2/20 0.57
MAPK8 P45983 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
JAK3 P52333 2/20 0.55
HDAC3 O15379 1/20 0.54
NCOR1 O75376 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
KDR P35968 1/20 0.53
PTK2 Q05397 1/20 0.53

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
SCHEMBL6791206 0.90 MAPK14 (0.57) KCNH2
SCHEMBL4385729 0.86 JAK2 (0.78) KCNH2JAK2PLK4MAPK8MAPK9
SCHEMBL6798108 0.85 MAPK14 (0.54) KCNH2KDRPTK2
SCHEMBL6793163 0.85 MAPK14 (0.64) EGFRMAPK10KDRPTK2
SCHEMBL7485933 0.80 KCNH2 (0.62) KCNH2JAK2EGFRPLK4MAPK8
SCHEMBL6792523 0.80 MAPK14 (0.52)
SCHEMBL4378310 0.77 JAK2 (0.86) JAK2JAK3HDAC3NCOR1JAK1
SCHEMBL6793261 0.76 MAPK14 (0.48)
SCHEMBL12274649 0.76 JAK2 (0.77) JAK2PLK4MAPK8MAPK9MAPK10
SCHEMBL6795873 0.75 MAPK14 (0.49) KDR

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-6730683-B2 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2004-05-04 US disclosed
US-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses SMITHKLINE BEECHAM CORPORATION 2002-12-26 US disclosed
US-6335340-B1 REACTING POLYMER BOUND 2-THIOPYRIMIDINE-4-YL IMINE WITH AN ISONITRILE; OXIDATION TO SULFONE OR SULFOXIDE TO RELEASE; AMINATION; ADMINISTERING AS CYTOKINE, INTERLEUKIN, AND TUMOR NECROSIS INHIBITORS SMITHKLINE BEECHAM CORPORATION 2002-01-01 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-20020198206-A1 Compounds of heteroaryl substituted imidazole, their pharmaceutical compositions and uses IL2, IFNG, IL2RA KCNH2 3668/4885JAK2 20/4885EGFR 324/4885

“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.