SCHEMBL29705496

SCHEMBL29705496

Clc1ccnc2[nH]ncc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.53
AXL P30530 1/20 0.52
PRKCI P41743 1/20 0.52
NOS1 P29475 2/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
DAO P14920 1/20 0.44
XDH P47989 2/20 0.44
RET P07949 1/20 0.44
PI4KA P42356 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL11506 1.00 NUDT1 (0.53) NUDT1AXLPRKCINOS1PIK3CD
SCHEMBL9933985 0.75 NUDT1 (0.49) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL3375875 0.75 PRKCI (0.52) NUDT1AXLPRKCINOS1PIK3CD
SCHEMBL2112472 0.75 PIK3CD (0.46) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL29487195 0.75 XDH (0.53) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL2619223 0.75 CHEK1 (0.47) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL290117 0.75 NOS1 (0.47) NUDT1NOS1PIK3CDPIK3CAPIK3CB
SCHEMBL29506132 0.75 NOS1 (0.47) NUDT1NOS1PIK3CDPIK3CAPIK3CB
SCHEMBL21855766 0.75 PIK3CD (0.46) NUDT1PIK3CDPIK3CAPIK3CBXDH
SCHEMBL1835481 0.75 XDH (0.53) NUDT1PIK3CDPIK3CAPIK3CBXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122055363-A Compounds and methods for modulating splicing 雷密克斯医疗公司 2026-05-15 CN disclosed
CN-115151550-B External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2024-11-22 CN disclosed
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2024-11-14 US disclosed
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 WO disclosed
EP-4436957-A1 THERAPEUTIC INDAZOLE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-10-02 EP disclosed
CN-118302411-A Therapeutic indazole compounds and methods of use thereof for the treatment of cancer 基因泰克公司 2024-07-05 CN disclosed
CN-118201915-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2024-06-14 CN disclosed
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 CN disclosed
CN-116003406-B Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2024-01-23 CN disclosed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
CN-112088157-B Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors 拉文纳制药公司 2023-12-26 CN disclosed
WO-2023097195-A1 THERAPEUTIC INDAZOLE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2023-06-01 WO disclosed
CN-116075307-A Pyridooxazine amino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-05 CN disclosed
CN-116003406-A Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2023-04-25 CN disclosed
CN-115835910-A Hydrogenated isoquinoline or naphthyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN disclosed
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-03-21 US disclosed
WO-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 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 (3 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-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 NUDT1 1770/4885AXL 1116/4885PRKCI 1473/4885
US-11608347-B2 Octahydropyrido[1,2-alpha]pyrazines as MAGL inhibitors PYM1, MAG, MAGI3 NUDT1 1230/4885AXL 4252/4885PRKCI 3547/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK NUDT1 3286/4885AXL 82/4885PRKCI 461/4885

“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.