SCHEMBL6713399

SCHEMBL6713399

Cc1noc(C)c1-c1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.37
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CREBBP Q92793 2/20 0.34
BRD2 P25440 1/20 0.34
ROCK2 O75116 1/20 0.33
USP30 Q70CQ3 4/20 0.33
NR3C2 P08235 1/20 0.32
LMNA P02545 1/20 0.32
EP300 Q09472 2/20 0.32
AR P10275 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
SCHEMBL6708569 0.89 RXFP1 (0.39) BRD4CREBBPBRD2ROCK2LMNA
SCHEMBL6710099 0.89 HIF1A (0.35) BRD4CREBBPBRD2USP30LMNA
SCHEMBL6710311 0.87 FTO (0.41) BRD4LCKFYNCREBBPUSP30
SCHEMBL6707644 0.85 LMNA (0.38) LCKROCK2USP30LMNA
SCHEMBL6709982 0.84 MAPT (0.38) NR3C2LMNA
SCHEMBL6834548 0.83 BRD4 (0.41) BRD4LCKFYNCREBBPBRD2
SCHEMBL6713616 0.82 CCKAR (0.37) LCKROCK2LMNA
SCHEMBL6711975 0.81 TRPA1 (0.46) LCKROCK2LMNA
SCHEMBL6710142 0.81 ROCK2 (0.41) ROCK2
SCHEMBL6708021 0.81 MAPT (0.41) LCKFYNROCK2

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 BRD4 1588/4885LCK 4247/4885FYN 4319/4885

“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.