SCHEMBL4903950

SCHEMBL4903950

O=C(Cc1ccccc1)c1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.58
WNT3A P56704 1/20 0.58
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SRD5A2 P31213 2/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL1515752 0.80 LMNA (0.59) CTNNB1WNT3ACES1CES2AKR1B1
SCHEMBL27386470 0.79 CES1 (0.47) CTNNB1WNT3ACES1CES2AKR1B1
SCHEMBL27688627 0.77 P2RX7 (0.46) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL8555913 0.76 CES1 (0.44) CES1CES2AKR1B1POLBMAPT
SCHEMBL672320 0.75 CES2 (0.47) CES1CES2AKR1B1MAPTL3MBTL1
SCHEMBL29601755 0.74 LMNA (0.45) CTNNB1WNT3ACES1CES2AKR1B1
SCHEMBL7371695 0.74 NAPRT (0.61) CTNNB1WNT3ACES1CES2AKR1B1
SCHEMBL1515846 0.73 ALDH1A1 (0.66) CES1CES2AKR1B1MAPTL3MBTL1
SCHEMBL18622318 0.73 CTNNB1 (0.72) CTNNB1WNT3ACES1MAPTL3MBTL1
SCHEMBL15969192 0.73 CTNNB1 (1.00) CTNNB1WNT3ACES1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors LEE WEN-CHERNG 2008-07-17 US disclosed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
EP-1786803-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS Biogen Idec MA, Inc. (US) 2007-05-23 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed
WO-2006026305-A1 PYRIMIDINYLPYRAZOLES AS TGF-BETA INHIBITORS BIOGEN IDEC MA INC (US) 2006-03-09 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 (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-20080171755-A1 Pyrimidinylpyrazoles as Tgf-Beta Inhibitors TGFBR1, SMAD3, ALK CTNNB1 865/4885WNT3A 2300/4885CES1 1981/4885

“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.