SCHEMBL240980

SCHEMBL240980

CSc1ncnc2nc[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 1.00
TP53 P04637 1/20 1.00
G6PD P11413 1/20 0.71
CDC7 O00311 7/20 0.59
DBF4 Q9UBU7 7/20 0.59
PAK1 Q13153 1/20 0.58
TSHR P16473 1/20 0.57
MAP3K5 Q99683 1/20 0.56
MAPT P10636 1/20 0.53
LMNA P02545 3/20 0.52
LRRK2 Q5S007 2/20 0.52
PI4KA P42356 2/20 0.52
PI4K2B Q8TCG2 2/20 0.52
PI4K2A Q9BTU6 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
DRD3 P35462 1/20 0.52
XDH P47989 1/20 0.52
PDPK1 O15530 2/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52

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
SCHEMBL30132912 1.00 HSD17B10 (1.00) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL10840236 0.98 HSD17B10 (0.96) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL10840233 0.98 HSD17B10 (0.96) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL30640036 0.87 HSD17B10 (0.77) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL30640035 0.87 HSD17B10 (0.77) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL2888994 0.83 G6PD (1.00) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL31606731 0.83 G6PD (1.00) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL1884553 0.80 G6PD (0.71) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL14447502 0.79 TP53 (0.66) HSD17B10TP53G6PDCDC7DBF4
SCHEMBL2115555 0.79 PAK1 (0.71) HSD17B10TP53G6PDCDC7DBF4

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 515 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250076302-A1 DETECTING THE PRESENCE OF URINARY STONE DISEASE USING A PLURALITY OF URINARY METABOLITES THE CLEVELAND CLINIC FOUNDATION 2025-03-06 US claimed
CN-118931997-A Method for synthesizing adenosine and/or uridine by three-enzyme cascade catalysis 上海飞腾医药科技有限公司 2024-11-12 CN claimed
US-20240368505-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF Tan Kah Kee Innovation Laboratory (CN) 2024-11-07 US claimed
CN-118879891-A Method for evaluating PE (polyethylene) based on intestinal flora 广州市番禺区妇幼保健院(广州市番禺区何贤纪念医院) 2024-11-01 CN claimed
CN-116731798-A Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-09-12 CN claimed
WO-2023133876-A1 FLUORINE-FREE CLEANING AGENT, PREPARATION METHOD THEREFOR AND USE THEREOF 嘉庚创新实验室 2023-07-20 WO claimed
CN-114317127-B Fluorine-free cleaning agent, and preparation method and application thereof 嘉庚创新实验室 2023-07-04 CN claimed
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN claimed
CN-114558061-B Loquat leaf extract and preparation method and application thereof 浙江大学 2023-04-04 CN claimed
US-20230099822-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION UNIVERSITÄT BASEL (CH) 2023-03-30 US claimed
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 US claimed
EP-0540686-B1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1995-08-30 EP claimed
US-5438130-A Fucosylated guanosine disulfates as excitatory amino acid antagonists CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-08-01 US claimed
US-5352786-A Di(2-propyl)esters of 1-fluoro-2-phosphonomethoxy-3-P-to-luenesulfonyloxypropanes, their producing and utilization INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1994-10-04 US claimed
WO-1994015622-A1 NUCLEOSIDE DERIVATIVES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS CAMBRIDGE NEUROSCIENCE (US) 1994-07-21 WO claimed
EP-0540686-A4 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES US COMMERCE (US) 1993-05-26 EP claimed
EP-0540686-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES. US COMMERCE (US) 1993-05-12 EP claimed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO claimed
EP-0044928-B1 1,4;3,6-DIANHYDRO-HEXITE-NITRATE SUBSTITUTED BY PURINE BASES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS Dr. Willmar Schwabe GmbH & Co. (DE) 1985-03-13 EP claimed
EP-0044928-A1 1,4;3,6-Dianhydro-hexite-nitrate substituted by purine bases, process for their preparation and their pharmaceutical compositions Dr. Willmar Schwabe GmbH & Co. (DE) 1982-02-03 EP claimed

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-20230099822-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION MRGPRX1, MRGPRX2, CD47 HSD17B10 3818/4885TP53 645/4885G6PD 1452/4885

“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.