SCHEMBL6239638

SCHEMBL6239638

Cc1cc(=O)n(C)cc1I

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.36
ATAD2 Q6PL18 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
NQO2 P16083 4/20 0.34
KDM4E B2RXH2 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MAP2K2 P36507 4/20 0.32
MAP2K1 Q02750 4/20 0.32
CREBBP Q92793 2/20 0.32
CYP19A1 P11511 4/20 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
SCHEMBL28496280 0.82 ATAD2 (0.36) BRD4ATAD2BAZ2BBAZ2ANQO2
SCHEMBL13481160 0.78 ATAD2 (0.39) BRD4ATAD2BAZ2BBAZ2ANQO2
SCHEMBL24837185 0.76 ATAD2 (0.35) ATAD2BAZ2BBAZ2AMAP2K2MAP2K1
SCHEMBL15535707 0.73 ATAD2 (0.45) BRD4ATAD2BAZ2BBAZ2ANQO2
SCHEMBL2116180 0.73 BRD4 (0.36) BRD4ATAD2BAZ2BBAZ2ANQO2
SCHEMBL12172358 0.73 MAP2K2 (0.39) BRD4ATAD2BAZ2BBAZ2ANQO2
SCHEMBL31103988 0.71 MAP2K1 (0.43) BRD4ATAD2BAZ2BBAZ2AMAP2K2
SCHEMBL24837083 0.71 ATAD2 (0.35) ATAD2BAZ2BBAZ2AMAP2K2MAP2K1
SCHEMBL19701935 0.70 ALDH1A1 (0.35) BRD4ATAD2BAZ2BBAZ2ANQO2
SCHEMBL29911866 0.70 BAZ2B (0.37) BRD4ATAD2BAZ2BBAZ2ANQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO 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 (2 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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG BRD4 1330/4885ATAD2 2896/4885BAZ2B 1909/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG BRD4 1330/4885ATAD2 2896/4885BAZ2B 1909/4885

“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.