SCHEMBL10784646

SCHEMBL10784646

CCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.84
LMNA P02545 2/20 0.84
CYP1A2 P05177 2/20 0.84
NFKB1 P19838 2/20 0.84
ACHE P22303 2/20 0.84
PMP22 Q01453 2/20 0.84
ESR1 P03372 1/20 0.84
MAPT P10636 1/20 0.84
BLM P54132 1/20 0.84
PDE4B Q07343 6/20 0.76
PDE4C Q08493 6/20 0.76
PDE4D Q08499 6/20 0.76
ADORA2B P29275 4/20 0.76
TNF P01375 4/20 0.76
RXFP1 Q9HBX9 2/20 0.76
USP2 O75604 1/20 0.76
TSHR P16473 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
MAPK1 P28482 1/20 0.70
ADORA2A P29274 2/20 0.58

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
SCHEMBL7802032 0.93 PDE4A (0.88) PDE4ALMNACYP1A2NFKB1ACHE
Propentofylline SCHEMBL74602 0.92 PDE4A (1.00) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10788889 0.91 PDE4A (0.89) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL7800905 0.91 PDE4A (0.98) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL11347084 0.91 PDE4A (0.89) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL11345748 0.91 PDE4A (0.89) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL11337820 0.91 PDE4A (0.89) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL10784282 0.90 PDE4A (0.80) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL9297147 0.90 PDE4A (0.80) PDE4ALMNACYP1A2NFKB1ACHE
SCHEMBL4298923 0.90 PDE4A (0.69) PDE4ALMNACYP1A2NFKB1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4636507-A Host defense mechanism enhancement HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-01-13 US claimed
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 CN disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 EP disclosed
EP-3645484-B1 METHOD FOR PREPARATION OF ALKYLATED OR FLUORO, CHLORO AND FLUOROCHLORO ALKYLATED COMPOUNDS BY HETEROGENEOUS COBALT CATALYSIS LONZA SOLUTIONS AG (CH) 2021-11-10 EP disclosed
US-10098885-B2 Hydroxyl purine compounds and applications thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-10-16 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
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
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
US-4289776-A VASODILATORS, FIBRINOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-15 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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A PDE4A 9/4885LMNA 2616/4885CYP1A2 146/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A PDE4A 9/4885LMNA 2616/4885CYP1A2 146/4885

“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.