SCHEMBL20182580

SCHEMBL20182580

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
ACHE P22303 1/20 0.32
PDE4A P27815 1/20 0.32
ADORA2B P29275 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL18460264 0.90 PDE4A (0.42) TNFUSP2LMNACYP1A2TSHR
SCHEMBL24611645 0.80
SCHEMBL24611659 0.80
SCHEMBL20182686 0.75 SMN1; SMN2 (0.37) TSHRSMN1; SMN2
SCHEMBL20205955 0.75 L3MBTL1 (0.43) CYP1A2SMN1; SMN2
SCHEMBL24611657 0.73
SCHEMBL24611651 0.72 MEN1 (0.30) SMN1; SMN2
SCHEMBL20011032 0.71 ALDH1A1 (0.35)
SCHEMBL20182656 0.71 PKM (0.44) LMNASMN1; SMN2
SCHEMBL20205773 0.69

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 TNF 103/4885USP2 849/4885LMNA 2317/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A TNF 103/4885USP2 849/4885LMNA 2317/4885

“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.