SCHEMBL21064113

SCHEMBL21064113

CC(C)C(C)c1nccc(NC2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
MALT1 Q9UDY8 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 2/20 0.40
CSNK1D P48730 1/20 0.40
LRRK2 Q5S007 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CTSK P43235 1/20 0.39

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
SCHEMBL15830040 0.78 CYP1A2 (0.52) MAPK1MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL21064115 0.75 MAPK1 (0.54) MAPK1MAPK8MAPK9MAPK10IDH1
SCHEMBL19462069 0.75 MAPK1 (0.49) MAPK1MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL18072377 0.75 HRH3 (0.68) MAPK1MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL17072658 0.74 MAPK1 (0.45) MAPK1MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL18466258 0.74 MALT1 (0.57) MAPK1MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL30158688 0.74 MAPK14 (0.46) MAPK1MALT1CYP1A2CYP3A4CYP2D6
SCHEMBL21297272 0.71 MAPK14 (0.52) MAPK1ALDH1A1MAPK14CSNK1DLRRK2
SCHEMBL20252330 0.70 MAPK14 (0.41) MAPK1ALDH1A1MAPK14CSNK1DLRRK2
SCHEMBL828268 0.69 ALDH1A1 (0.71) MAPK1ALDH1A1MAPK14CSNK1DLRRK2

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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 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-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 MAPK1 1357/4885MALT1 2773/4885CYP1A2 1690/4885

“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.