SCHEMBL5789404

SCHEMBL5789404

O=C(Cc1ccnc(Br)c1)c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
PIK3CA P42336 1/20 0.42
PARP1 P09874 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
VNN1 O95497 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTBP2 P56545 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14143222 0.84 MAPT (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3896447 0.83 ERCC5 (0.46) ERCC5FEN1PIK3CAPARP1MEN1
SCHEMBL5205328 0.83 GABRP (0.55) ERCC5FEN1PIK3CAPARP1MEN1
SCHEMBL5790783 0.82 PIK3CA (0.45) PIK3CAMEN1KMT2AALDH1A1LMNA
Bromide SCHEMBL6992895 0.82 ERCC5 (0.44) ERCC5FEN1PIK3CAPARP1MEN1
SCHEMBL3284705 0.81 KDM4E (0.52) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL5787643 0.79 CES2 (0.42) PIK3CAVNN1KCNQ3KCNQ2KCNQ5
SCHEMBL5200968 0.77 JAK2 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL30511470 0.76 MAPT (0.66) ERCC5FEN1PIK3CAPARP1MEN1
SCHEMBL31405561 0.76 ERCC5 (0.56) ERCC5FEN1PIK3CAPARP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1543003-B1 IMIDAZO¬1,2-A|PYRIDINES SMITHKLINE BEECHAM CORP (US) 2006-05-17 EP disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 US disclosed
US-20050234029-A1 Compounds DODIC NERINA 2005-10-20 US disclosed
EP-1543003-A2 IMIDAZO[1,2-A]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2005-06-22 EP disclosed
EP-1539748-A1 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-06-15 EP disclosed
WO-2004013138-A2 IMIDAZO`1,2-A!PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO disclosed
WO-2004013135-A1 2-PHENYLPYRIDIN-4-YL DERIVATIVES AS ALK5 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 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-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors SMAD2, SMAD3, ALK ERCC5 2313/4885FEN1 3195/4885PIK3CA 369/4885
US-20050234029-A1 Compounds SMAD3, SMAD2, ACVR1 ERCC5 2067/4885FEN1 2804/4885PIK3CA 382/4885

“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.