SCHEMBL4570626

SCHEMBL4570626

Cc1cccc(C(=O)c2c[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.61
AAK1 Q2M2I8 2/20 0.52
AXL P30530 4/20 0.47
BRD4 O60885 1/20 0.46
RIPK1 Q13546 2/20 0.46
PLK4 O00444 3/20 0.46
NEK1 Q96PY6 1/20 0.46
PIK3CA P42336 1/20 0.46
CYP3A4 P08684 2/20 0.45
MAP4K1 Q92918 1/20 0.45
CDC7 O00311 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
PDPK1 O15530 1/20 0.45
DYRK3 O43781 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKD3 O94806 1/20 0.45
PAK4 O96013 1/20 0.45

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
SCHEMBL3702374 0.89 CAMKK2 (0.69) CAMKK2AAK1AXLBRD4RIPK1
SCHEMBL299272 0.89 CAMKK2 (0.61) CAMKK2AAK1AXLRIPK1PLK4
SCHEMBL4570631 0.85 CAMKK2 (0.55) CAMKK2AXLRIPK1PLK4CYP3A4
SCHEMBL298592 0.82 CAMKK2 (0.52) CAMKK2AAK1BRD4RIPK1PLK4
SCHEMBL4570632 0.81 AAK1 (0.52) AAK1AXLBRD4RIPK1PLK4
SCHEMBL298745 0.81 CAMKK2 (0.52) CAMKK2AAK1AXLRIPK1PLK4
SCHEMBL415640 0.80 CAMKK2 (0.56) CAMKK2AXLRIPK1PLK4CYP3A4
SCHEMBL856349 0.80 CYP2C9 (0.62) CAMKK2CYP3A4EGFRKDRNEK2
SCHEMBL414774 0.80 CAMKK2 (0.55) CAMKK2AXLRIPK1PLK4CYP3A4
SCHEMBL3702186 0.79 CAMKK2 (0.67) CAMKK2AAK1AXLRIPK1PLK4

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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CAMKK2 497/4885AAK1 247/4885AXL 470/4885

“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.