SCHEMBL6135786

SCHEMBL6135786

Cc1cc(-c2ccccc2)c(C)c(C)c1-c1cc(F)c(F)c(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.41
DHODH Q02127 3/20 0.40
IKBKB O14920 7/20 0.40
CHUK O15111 4/20 0.40
PKMYT1 Q99640 2/20 0.40
IKBKE Q14164 1/20 0.40
BRD4 O60885 1/20 0.38
CDC7 O00311 1/20 0.38
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MAPT P10636 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL9951887 0.75 BCAT2 (0.53) BCAT2DHODHIKBKBCHUKPKMYT1
SCHEMBL18816714 0.73 DHODH (0.46) BCAT2DHODHIKBKBBRD4CDC7
SCHEMBL3837776 0.73 DHODH (0.46) BCAT2DHODHIKBKBBRD4CDC7
SCHEMBL6838773 0.72 ESR2 (0.44) MAPT
SCHEMBL20233004 0.72 KAT6A (0.56) BCAT2DHODHIKBKBCHUKPKMYT1
SCHEMBL6887769 0.72 BCAT2 (0.56) BCAT2DHODHIKBKBCHUKPKMYT1
SCHEMBL18816701 0.69 BCAT2 (0.53) BCAT2DHODHIKBKBCHUKPKMYT1
SCHEMBL5499374 0.69 DHODH (0.45) BCAT2DHODHIKBKBCHUKPKMYT1
SCHEMBL30009492 0.69 BCAT2 (0.49) BCAT2DHODHIKBKBCHUKPKMYT1
SCHEMBL27635536 0.69 BCAT2 (0.56) BCAT2IKBKBCHUKPKMYT1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US claimed

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-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 BCAT2 835/4885DHODH 1620/4885IKBKB 338/4885

“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.