SCHEMBL9113709

SCHEMBL9113709

CC(=O)Nc1cc(-c2cc(C(=O)N(C)C)c(-c3ccccc3Cl)o2)c(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 8/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
LIMK1 P53667 1/20 0.38
MAPK11 Q15759 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NR4A2 P43354 2/20 0.36
ABL1 P00519 3/20 0.36
S1PR4 O95977 1/20 0.36
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35

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
SCHEMBL9107884 0.91 KDM4E (0.40) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9890033 0.90 PIK3C3 (0.44) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9108874 0.89 PIK3C3 (0.46) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9107473 0.88 PIK3C3 (0.43) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9108275 0.87 PIK3C3 (0.42) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9888609 0.86 RAB9A (0.44) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9106554 0.86 HPGD (0.42) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9109616 0.85 PIK3C3 (0.42) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9107516 0.83 MAPT (0.43) PIK3C3KDM4EMEN1ALDH1A1KMT2A
SCHEMBL9103196 0.82 KDM4E (0.39) PIK3C3KDM4EMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 PIK3C3 52/4885KDM4E 2506/4885MEN1 3292/4885

“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.