SCHEMBL6707765

SCHEMBL6707765

CC1(C(=O)Nc2cccc3cc(C(=O)Nc4ccc(C#N)cc4-c4nnn[nH]4)[nH]c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
TP53 P04637 3/20 0.33
POLB P06746 3/20 0.33
NSD2 O96028 1/20 0.32
CSF1R P07333 4/20 0.32
BACE1 P56817 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
PLA2G7 Q13093 1/20 0.32
BTK Q06187 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6710380 0.88 MAP3K5 (0.43) MAP3K5NR1H4TP53POLBNSD2
SCHEMBL6710436 0.88 PLCG2 (0.38) MAP3K5TP53POLBNSD2MAPT
SCHEMBL6710391 0.88 GPR35 (0.36) MAP3K5TP53POLBNSD2MAPT
SCHEMBL6710291 0.87 KMT2A (0.42) POLBLMNAKMT2A
SCHEMBL6862764 0.87 MEN1 (0.37) MAP3K5TP53LMNARXFP1KMT2A
SCHEMBL6710250 0.87 KMT2A (0.42) NR1H4TP53NSD2RXFP1KMT2A
SCHEMBL6710254 0.86 NPC1 (0.40) LMNA
SCHEMBL6709197 0.86 IRAK4 (0.42) NR1H4RXFP1KMT2A
SCHEMBL6709971 0.85 GSK3B (0.40) MAP3K5TP53POLBMAPTPKM
SCHEMBL6708889 0.85 NR1H4 (0.38) NR1H4TP53POLBLMNAPKM

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 3051/4885NR1H4 1116/4885TP53 2699/4885

“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.