SCHEMBL5956493

SCHEMBL5956493

Cc1cccc(C(=O)Cc2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
TGFBR1 P36897 2/20 0.44
MAPKAPK2 P49137 1/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 2/20 0.42
PARP1 P09874 2/20 0.42
SLC16A3 O15427 1/20 0.41
KCNH2 Q12809 1/20 0.41
DYRK1A Q13627 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TNKS O95271 1/20 0.40
PIK3CD O00329 1/20 0.40
CNR2 P34972 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL5790926 0.89 HDAC1 (0.46) HDAC1JAK2
SCHEMBL5956496 0.86 HPGD (0.50) TGFBR1
SCHEMBL5907501 0.82 HDAC1 (0.47) HDAC1TGFBR1MAPKAPK2JAK2JAK3
SCHEMBL5956591 0.81 WNT3A (0.45) HDAC1
SCHEMBL5956509 0.80 IRAK4 (0.41) TGFBR1
SCHEMBL5956490 0.79 WNT3A (0.39) HDAC1TGFBR1
SCHEMBL5956662 0.79 LOXL2 (0.55) TGFBR1
SCHEMBL5956479 0.78 TGFBR1 (0.57) TGFBR1CNR2
SCHEMBL5956440 0.78 WNT3A (0.43) HDAC1DYRK1A
SCHEMBL5956502 0.78 PRKAB2 (0.47) HDAC1TGFBR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
US-20050245520-A1 2-Phenylpyridin-4-yl derivatives as alk5 inhibitors DODIC NERINA 2005-11-03 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 (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 HDAC1 1275/4885TGFBR1 7/4885MAPKAPK2 32/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 HDAC1 1234/4885TGFBR1 3/4885MAPKAPK2 171/4885

“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.