SCHEMBL3494523

SCHEMBL3494523

COC(=O)c1ccc2ncn(C3CCN(Cc4ccccc4)CC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CHRM4 P08173 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
FGFR1 P11362 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.46
CNR2 P34972 1/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
MCHR1 Q99705 1/20 0.45
MAPT P10636 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
SCHEMBL3493669 0.87 JAK2 (0.48) ALDH1A1KMT2AJAK2JAK1TYK2
SCHEMBL30202437 0.78 BRD4 (0.59) ALDH1A1FGFR1SMN1; SMN2
SCHEMBL17807884 0.78 BRD4 (0.59) ALDH1A1FGFR1SMN1; SMN2
SCHEMBL3132276 0.78 DRD2 (0.67) OPRM1ALDH1A1KMT2AJAK2JAK1
SCHEMBL3780531 0.78 CHRM4 (0.50) OPRM1OPRD1OPRK1CHRM4ALDH1A1
SCHEMBL3494237 0.76 DRD4 (0.48) CHRM4ALDH1A1JAK2JAK1TYK2
SCHEMBL30158973 0.75 GAA (0.61) ALDH1A1MEN1KMT2AFGFR1SMN1; SMN2
SCHEMBL4539192 0.74 DRD2 (0.56) CHRM4ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7814456 0.74 FGFR1 (0.64) FGFR1
SCHEMBL3352559 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP OPRM1 4500/4885OPRD1 4014/4885OPRK1 3927/4885

“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.