SCHEMBL4570631

SCHEMBL4570631

Cc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.55
RIPK1 Q13546 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 3/20 0.50
PLK4 O00444 3/20 0.50
CYP2D6 P10635 1/20 0.46
AXL P30530 1/20 0.45
PAK1 Q13153 1/20 0.45
BRAF P15056 2/20 0.45
PAK4 O96013 1/20 0.44
NTRK1 P04629 1/20 0.44
PTK2 Q05397 1/20 0.44
TBK1 Q9UHD2 1/20 0.44

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
SCHEMBL414774 0.91 CAMKK2 (0.55) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL298899 0.90 CAMKK2 (0.56) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL3702186 0.88 CAMKK2 (0.67) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL298449 0.88 CYP2C9 (0.53) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL856349 0.86 CYP2C9 (0.62) CAMKK2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL4570626 0.85 CAMKK2 (0.61) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL4570623 0.85 AXL (0.57) CAMKK2RIPK1CYP3A4PLK4CYP2D6
SCHEMBL415640 0.84 CAMKK2 (0.56) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL299098 0.83 CYP3A4 (0.51) CAMKK2RIPK1CYP3A4CYP2C9CYP2C19
SCHEMBL2883018 0.83 CYP2C9 (0.59) CAMKK2CYP3A4CYP2C9CYP2C19CYP2D6

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 497/4885RIPK1 637/4885CYP3A4 3611/4885

“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.