SCHEMBL13440366

SCHEMBL13440366

CS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.66
PIK3CG P48736 2/20 0.66
PIK3CB P42338 1/20 0.66
PTGS2 P35354 3/20 0.65
IKBKB O14920 9/20 0.65
CHUK O15111 2/20 0.64
MAPK8 P45983 2/20 0.63
MAPK10 P53779 1/20 0.63
CDK2 P24941 2/20 0.55
GSK3B P49841 2/20 0.55
CCNT1 O60563 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CSNK2A2 P19784 1/20 0.55
CCNA2 P20248 1/20 0.55
CCND1 P24385 1/20 0.55
CCNE1 P24864 1/20 0.55
CCND3 P30281 1/20 0.55
MAPK9 P45984 1/20 0.55

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
SCHEMBL3753567 0.87 IKBKB (0.68) PTGS2IKBKBCHUKMAPK8MAPK10
SCHEMBL3758490 0.83 IKBKB (0.66) PIK3CAPIK3CGPIK3CBIKBKBCHUK
SCHEMBL3760443 0.82 MAPK8 (0.57) PTGS2IKBKBCHUKMAPK8MAPK10
SCHEMBL3760320 0.80 IKBKB (0.59) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL3758611 0.80 IKBKB (0.60) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL3516492 0.80 IKBKB (0.72) PIK3CAPIK3CGPIK3CBIKBKBCHUK
SCHEMBL3754658 0.79 MAPK8 (0.81) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL4375237 0.79 JAK2 (0.81) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL3747898 0.79 IKBKB (0.56) IKBKBCHUKMAPK8MAPK10CDK2
SCHEMBL7467852 0.79 PIK3CA (0.65) PIK3CAPIK3CGPIK3CBMAPK8MAPK10

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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 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-20100069417-A1 NOVEL PHENYL(4-PHENYLPYRIMIDIN-2-YL)AMINE DERIVATIVES, THEIR PREPARATION, AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS IKBKB, NFKBIA, IKBKE PIK3CA 141/4885PIK3CG 160/4885PIK3CB 124/4885

“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.