SCHEMBL17682203

SCHEMBL17682203

Cn1c(=O)n(C[C@H]2CC[C@](C)(O)CC2)c(=O)c2c1ncn2CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ TRPA1 O75762 5/20 0.41
▸ ADORA2B P29275 6/20 0.40
▸ LMNA P02545 3/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17682207 1.00 KMT2A (0.45) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682149 1.00 KMT2A (0.45) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682199 0.91 KMT2A (0.44) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682200 0.91 KMT2A (0.44) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682132 0.91 KMT2A (0.44) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682284 0.89 KMT2A (0.52) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682250 0.89 KMT2A (0.52) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682285 0.89 KMT2A (0.52) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL18819581 0.87 KMT2A (0.50) KMT2ATRPA1ADORA2BLMNAPDE4A
SCHEMBL17682196 0.86 KMT2A (0.46) KMT2ATRPA1ADORA2BLMNAPDE4A

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 6 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
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 KMT2A 3904/4885TRPA1 3239/4885ADORA2B 116/4885

“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.

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