SCHEMBL4829345

SCHEMBL4829345

CC(C)NN=C(C(=O)O)c1cccnc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.51
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
DHODH Q02127 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.35
AGTR1 P30556 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4824493 0.81 NAPRT (0.51) NAPRTKMT2ANPC1RAB9AL3MBTL1
SCHEMBL5262723 0.76 NAPRT (0.61) NAPRTL3MBTL1SMN1; SMN2DHODHKDM4E
SCHEMBL5262726 0.76 NAPRT (0.61) NAPRTL3MBTL1SMN1; SMN2DHODHKDM4E
SCHEMBL21209660 0.73 NAPRT (0.56) NAPRTSMN1; SMN2PKMMAPTALDH1A1
SCHEMBL4829341 0.71 NAPRT (0.46) NAPRTKMT2AL3MBTL1SMN1; SMN2MEN1
SCHEMBL8020133 0.71 NAPRT (0.61) NAPRTKMT2ANPC1RAB9AL3MBTL1
SCHEMBL2045679 0.70 NAPRT (0.71) NAPRTKMT2AL3MBTL1SMN1; SMN2DHODH
SCHEMBL9944381 0.70 NAPRT (0.56) NAPRTKMT2ANPC1L3MBTL1SMN1; SMN2
SCHEMBL29574424 0.69 NAPRT (1.00) NAPRTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL19280924 0.69 NAPRT (1.00) NAPRTNPC1RAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 NAPRT 2054/4885KMT2A 2097/4885NPC1 2409/4885

“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.