SCHEMBL4286937

SCHEMBL4286937

CCOCC(=O)Nc1cnn(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GBA1 P04062 1/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
EGFR P00533 1/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL20048223 0.85 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2GBA1TP53ALDH1A1
SCHEMBL20037063 0.81 EGFR (0.52) RAB9ASMN1; SMN2GBA1TP53GAA
SCHEMBL4288257 0.80 ALDH1A1 (0.67) RAB9ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL4283172 0.78 ALDH1A1 (0.63) RAB9ASMN1; SMN2TP53ALDH1A1NAMPT
SCHEMBL4281610 0.78 EGFR (0.54) RAB9ASMN1; SMN2GAANAMPTNPC1
SCHEMBL3825768 0.77 HPGDS (0.57) RAB9ASMN1; SMN2GAANAMPTNPC1
SCHEMBL3667956 0.77 KMT2A (0.69) RAB9ASMN1; SMN2ALDH1A1GAANAMPT
SCHEMBL23719148 0.75 MAPK10 (0.59) SMN1; SMN2TP53GAANAMPTEGFR
SCHEMBL4287692 0.75 KMT2A (0.60) RAB9ASMN1; SMN2TP53ALDH1A1NAMPT
SCHEMBL6963518 0.74 SCD (0.48) NAMPTEGFRFGFR1KDR

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 RAB9A 291/4885SMN1; SMN2 4064/4885GBA1 2365/4885

“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.