SCHEMBL6710380

SCHEMBL6710380

CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.43
TP53 P04637 3/20 0.35
MAPK14 Q16539 1/20 0.35
NSD2 O96028 1/20 0.35
DYRK1A Q13627 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
PLA2G7 Q13093 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
PTK2B Q14289 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6710250 0.91 KMT2A (0.42) TP53NSD2KMT2ARXFP1NR1H4
SCHEMBL6710254 0.90 NPC1 (0.40) LMNANPC1RAB9A
SCHEMBL6709197 0.90 IRAK4 (0.42) KMT2ARXFP1NR1H4MEN1NPC1
SCHEMBL6713312 0.90 TDP1 (0.38) KMT2ARXFP1NR1H4TDP1MEN1
SCHEMBL6710138 0.89 NSD2 (0.47) TP53MAPK14NSD2MAPTPOLB
SCHEMBL6711789 0.89 PARP14 (0.36) MAP3K5TP53NSD2PKMMAPT
SCHEMBL6709018 0.89 PKM (0.35) MAP3K5TP53NSD2PKMMAPT
SCHEMBL6707952 0.89 PRSS12 (0.39) MAPK14NSD2KMT2ARXFP1NR1H4
SCHEMBL6708802 0.89 POLB (0.35) MAP3K5TP53NSD2PKMMAPT
SCHEMBL6708969 0.88 MAP3K5 (0.37) MAP3K5TP53NSD2PKMMAPT

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-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 MAP3K5 3051/4885TP53 2699/4885MAPK14 2897/4885

“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.