SCHEMBL20182686

SCHEMBL20182686

CN1c2ncn(C)c2C(=O)N(CCCN2CCCC2=O)C1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL24611645 0.76
SCHEMBL20205955 0.75 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL18460264 0.75 PDE4A (0.42) SMN1; SMN2TSHRMAPK1
SCHEMBL24611659 0.75
SCHEMBL21090967 0.73 TNF (0.31) SMN1; SMN2TSHR
SCHEMBL24611657 0.69
SCHEMBL24611651 0.68 MEN1 (0.30) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL20205773 0.67
SCHEMBL5424673 0.67 PIK3CD (0.54) TSHRKMT2AMEN1
SCHEMBL20011032 0.67 ALDH1A1 (0.35) ALDH1A1

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-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 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 (2 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885RAB9A 3022/4885NPC1 4399/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A SMN1; SMN2 1786/4885RAB9A 3022/4885NPC1 4399/4885

“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.