SCHEMBL4568248

SCHEMBL4568248

Cc1cc(Br)c(NC(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 9/20 0.40
PDK2 Q15119 9/20 0.40
PDK3 Q15120 9/20 0.40
PDK4 Q16654 9/20 0.40
CHUK O15111 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL17351237 0.88 MEN1 (0.41) PDK1PDK2PDK3PDK4CHUK
SCHEMBL4568245 0.87 HDAC1 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4568252 0.83 PDK1 (0.38) PDK1PDK2PDK3PDK4MEN1
SCHEMBL18874272 0.81 MEN1 (0.41) PDK1PDK2PDK3PDK4CHUK
SCHEMBL4568240 0.81 SMN1; SMN2 (0.41) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4568237 0.81 KMT2A (0.48) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL23952225 0.80 PDK1 (0.44) PDK1PDK2PDK3PDK4CHUK
SCHEMBL6582521 0.80 CA1 (0.45) MEN1KMT2ALMNACA1CA2
SCHEMBL31648042 0.79 CA2 (0.46) PDK1PDK2PDK3PDK4CA1
SCHEMBL7666909 0.79 PDK1 (0.42) PDK1PDK2PDK3PDK4CHUK

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
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R PDK1 4256/4885PDK2 2782/4885PDK3 2580/4885

“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.