SCHEMBL4287692

SCHEMBL4287692

CCOCC(=O)Nc1cnn(C(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
NAMPT P43490 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PDGFRB P09619 2/20 0.42
FLT4 P35916 2/20 0.42
KDR P35968 2/20 0.42
FLT3 P36888 2/20 0.42
HTT P42858 2/20 0.42
CSF1R P07333 1/20 0.42
CYP2C9 P11712 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL24671090 0.84 KMT2A (0.56) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL4283172 0.81 ALDH1A1 (0.63) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL22773928 0.77 KMT2A (0.53) KMT2ARAB9ANPC1ALDH1A1NAMPT
SCHEMBL4293848 0.76 NPC1 (0.52) KMT2ARAB9ANPC1ALDH1A1NAMPT
SCHEMBL24669798 0.75 FPR2 (0.49) KMT2ARAB9ANPC1ALDH1A1NAMPT
SCHEMBL4286937 0.75 RAB9A (0.52) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL29757930 0.74 NPC1 (0.51) KMT2ARAB9ANPC1ALDH1A1NAMPT
SCHEMBL24669800 0.74 RAB9A (0.51) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL4288257 0.73 ALDH1A1 (0.67) RAB9AALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29060753 0.70 POLB (0.57) KMT2ANPC1ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (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-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP KMT2A 871/4885RAB9A 291/4885NPC1 1266/4885

“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.