SCHEMBL20045006

SCHEMBL20045006

CC(C)c1ccnc(NCc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 10/20 0.51
CYP3A4 P08684 10/20 0.51
CYP2C19 P33261 8/20 0.51
CLK4 Q9HAZ1 7/20 0.51
CYP2D6 P10635 5/20 0.51
ALOX15 P16050 3/20 0.51
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 6/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL8229631 0.85 NOS2 (0.65) POLBCYP1A2CYP3A4CYP2C19CLK4
SCHEMBL20045031 0.82 NOS2 (0.49) POLBCLK4ALDH1A1MEN1KMT2A
SCHEMBL16220824 0.81 NOS2 (0.72) POLBL3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL18466143 0.78 L3MBTL1 (0.53) POLBL3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL8229603 0.77 KDM4E (0.54) POLBALDH1A1MEN1KMT2AKDM4E
SCHEMBL3948160 0.76 ALDH1A1 (0.77) POLBL3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL25068904 0.76 FFAR1 (0.52) CYP1A2CYP3A4CYP2C19CLK4CYP2D6
SCHEMBL19171724 0.75 NPC1 (0.46) POLBL3MBTL1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8224486 0.75 CLK4 (0.54) POLBCLK4ALDH1A1MEN1KMT2A
SCHEMBL20656683 0.74 CYP1A2 (0.56) L3MBTL1CYP1A2CYP2D6ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180098987-A1 PRMT5 Inhibitors and Uses Thereof Epizyme, Inc. (US) 2018-04-12 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-20180098987-A1 PRMT5 Inhibitors and Uses Thereof PRMT5, PRMT1, PRMT6 POLB 2005/4885L3MBTL1 982/4885CYP1A2 2993/4885

“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.