SCHEMBL4774535

SCHEMBL4774535

CN(C)c1[nH]c(-c2ccccc2F)nc(=O)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ADORA1 P30542 3/20 0.39
ADORA2B P29275 2/20 0.39
PARP1 P09874 1/20 0.39
ADORA2A P29274 2/20 0.39
PDE10A Q9Y233 1/20 0.38
KCNMA1 Q12791 1/20 0.38
SLC9A1 P19634 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL4774542 0.81 HTT (0.44) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL8347394 0.74 KMT2A (0.61) ALDH1A1HPGDKDM4ENPC1PKM
SCHEMBL10697442 0.67 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL8618622 0.67 NPC1 (0.61) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL6440793 0.65 XDH (0.66) ALDH1A1HPGDKDM4EGAAADORA1
SCHEMBL4591620 0.64 DYRK1A (0.38) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL4767221 0.64 HPGD (0.47) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL10694425 0.64 PARP1 (0.54) ALDH1A1NPC1PKMRAB9AL3MBTL1
SCHEMBL11629965 0.64 GUCY1B2 (0.48) ALDH1A1HPGDKDM4ENPC1PKM
SCHEMBL4624842 0.62 DYRK1A (0.43) ALDH1A1HPGDKDM4EHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549316-A4 INHIBITORS OF TFGbeta SCIOS INC (US) 2008-04-09 EP disclosed
EP-1549316-A1 INHIBITORS OF TFG&bgr; SCIOS INC. (US) 2005-07-06 EP disclosed
US-20040132730-A1 Inhibitors of TGFbeta SCIOS, INC. 2004-07-08 US disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 ALDH1A1 2530/4885HPGD 1323/4885KDM4E 2670/4885

“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.