SCHEMBL3462730

SCHEMBL3462730

NC(=O)c1ccccc1Cc1c(F)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.50
PBRM1 Q86U86 1/20 0.48
CD38 P28907 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
BACE1 P56817 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
DAO P14920 1/20 0.42
MEN1 O00255 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3459831 0.89 MAPK8 (0.44) MAPK8PBRM1CD38HTTKDM4E
SCHEMBL3461564 0.79 MAPK8 (0.49) MAPK8TAAR1HTTKDM4EGAA
SCHEMBL3461538 0.79 LMNA (0.50) MAPK8CD38KDM4EKMT2AALDH1A1
SCHEMBL29836974 0.77 MAPK14 (0.39) MAPK8HTTKDM4EGAAMAPT
SCHEMBL3460044 0.77 L3MBTL1 (0.46) KDM4EGAATP53TDP1MAPT
SCHEMBL7134588 0.75 TSHR (0.54) KDM4EGAATDP1MAPTKMT2A
SCHEMBL27616376 0.73 HTT (0.54) TAAR1BACE1HTTGAATDP1
SCHEMBL3460903 0.73 MAPK14 (0.51) MAPK8HTTLMNA
SCHEMBL3935646 0.73 KMT2A (0.58) MAPK8TAAR1BACE1HTTKDM4E
SCHEMBL27837954 0.72 PLA2G2A (0.47) MAPK8CD38TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 MAPK8 224/4885PBRM1 1502/4885CD38 4100/4885

“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.