SCHEMBL20182687

SCHEMBL20182687

Cc1noc(C)c1Cn1c(=O)c2c(ncn2CC2CC23CCC3)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.44
KMT2A Q03164 1/20 0.43
PARG Q86W56 4/20 0.42
POLB P06746 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL20182571 0.84 TRPA1 (0.47) TRPA1KMT2APARGPOLBHIF1A
SCHEMBL18255894 0.84 TRPA1 (0.48) TRPA1KMT2APARGPOLBHIF1A
SCHEMBL20182456 0.80 TRPA1 (0.42) TRPA1KMT2APARGPOLBHIF1A
SCHEMBL20205786 0.78 KMT2A (0.46) TRPA1KMT2APOLBHIF1A
SCHEMBL20182690 0.78 TRPA1 (0.42) TRPA1KMT2APARGPOLBHIF1A
SCHEMBL18256127 0.77 ADORA2B (0.54) KMT2APOLB
SCHEMBL20205963 0.75 KMT2A (0.42) TRPA1KMT2APOLBHIF1A
SCHEMBL19607605 0.73 KMT2A (0.45) TRPA1KMT2APOLBHIF1AALDH1A1
SCHEMBL18255770 0.68 ADORA2B (0.53) POLB
SCHEMBL6665465 0.67 TAS2R8 (0.47) KMT2APOLBHIF1AALDH1A1

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 TRPA1 2926/4885KMT2A 3576/4885PARG 1744/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A TRPA1 2926/4885KMT2A 3576/4885PARG 1744/4885

“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.