SCHEMBL17682183

SCHEMBL17682183

Cn1c(=O)n(Cc2ccc(C(C)(O)C(F)(F)F)cn2)c(=O)c2c1ncn2CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 17/20 0.42
KMT2A Q03164 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
POLB P06746 1/20 0.39
HIF1A Q16665 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
SCHEMBL18819717 0.97 TRPA1 (0.41) TRPA1KMT2AABCC8KCNJ11POLB
SCHEMBL19601325 0.91 KMT2A (0.45) TRPA1KMT2AABCC8KCNJ11POLB
SCHEMBL17682255 0.85 ADORA2B (0.48) KMT2A
SCHEMBL18819720 0.83 TRPA1 (0.42) TRPA1KMT2APOLBHIF1A
SCHEMBL17682175 0.82 KMT2A (0.42) TRPA1KMT2AABCC8KCNJ11POLB
SCHEMBL29799179 0.82 TRPA1 (0.47) TRPA1KMT2APOLBHIF1A
SCHEMBL17682244 0.82 TRPA1 (0.47) TRPA1KMT2APOLBHIF1A
SCHEMBL24611642 0.80 MAPK1 (0.46) TRPA1KMT2AABCC8KCNJ11POLB
SCHEMBL18819561 0.79 KMT2A (0.41) TRPA1KMT2AABCC8KCNJ11POLB
SCHEMBL17682219 0.78 KMT2A (0.44) TRPA1KMT2AABCC8KCNJ11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 WO 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A TRPA1 3239/4885KMT2A 3904/4885ABCC8 887/4885

“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.