SCHEMBL1868819

SCHEMBL1868819

Nn1cnc2c(Cl)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.44
▸ P2RX7 Q99572 2/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.39
▸ FGFR1 P11362 8/20 0.38
▸ FGFR4 P22455 8/20 0.38
▸ PI4KA P42356 4/20 0.38
▸ PI4K2B Q8TCG2 4/20 0.38
▸ PI4K2A Q9BTU6 4/20 0.38
▸ PI4KB Q9UBF8 4/20 0.38
▸ ADORA2A P29274 3/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ ADORA2B P29275 1/20 0.34
▸ DGAT1 O75907 1/20 0.34

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
SCHEMBL10910542 0.79 FDPS (0.47) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL667204 0.77 ADORA2A (0.62) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL26348841 0.75 FDPS (0.44) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL16949893 0.75 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL28174152 0.75 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL15829723 0.75 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30572667 0.75 ADORA1 (0.60) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL130453 0.75 ADORA1 (0.60) FDPSP2RX7HDAC6FGFR1FGFR4
SCHEMBL16949944 0.75 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL27960571 0.75 FDPS (0.44) FDPSP2RX7HDAC6FGFR1FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102942582-A Preparation method of entecavir key intermediate KAMP PHARMACEUTICALS CO LTD 2013-02-27 — — CN claimed
CN-117795096-A Methods, compositions and kits for preparing sequencing libraries 吉复生物科技有限公司 2024-03-29 — — CN disclosed
CN-115884977-A Stereoselective preparation of selected purine phosphoramidates 阿堤亚制药公司 2023-03-31 — — CN disclosed
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2022-05-19 — — US disclosed
CN-113292564-B Synthetic method of 2-amino-6-chloropurine 上海凌凯医药科技有限公司 2022-04-19 — — CN disclosed
US-10253360-B2 BNA clamp method BNA INC. (JP) 2019-04-09 — — US disclosed
WO-2019067740-A1 FUSION PROTEINS HAVING A TOXIN AND CANCER MARKER, NANOPARTICLES, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-04-04 — — WO disclosed
CN-109420480-A A kind of separation method of C 4 olefin mixture 浙江大学 2019-03-05 — — CN disclosed
CN-109312338-A CRISPR/CAS related methods and compositions for treating herpes simplex virus 爱迪塔斯医药公司 2019-02-05 — — CN disclosed
EP-2902499-B1 BNA CLAMP METHOD BNA INC (JP) 2018-09-12 — — EP disclosed
EP-1534708-B1 PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS CYCLACEL LTD (GB) 2006-04-26 — — EP disclosed
EP-0773220-B1 2-Amino-6-chloropurine and method for preparing the same SUMIKA FINE CHEMICALS CO LTD (JP) 2002-02-13 — — EP disclosed
US-6187921-B1 2-AMINO-6-CHLOROPURINE HAVING DOUBLE CONE-LIKE CRYSTAL FORM CONSTRUCTED BY COMBINING TWO PYRAMIDS WITH EACH OTHER AT THEIR BOTTOMS AND HAVING SPECIFIED AVERAGE PARTICLE DIAMETER SUMIKA FINE CHEMICALS CO., LTD. (JP) 2001-02-13 — — US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 — — EP disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 — — WO disclosed
US-5789590-A Double cone-like crystal form of 2-amino-6-chloropurine and preparation SUMIKA FINE CHEMICALS CO., LTD. (JP) 1998-08-04 — — US disclosed
EP-0773220-A1 2-Amino-6-chloropurine and method for preparing the same SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-05-14 — — EP disclosed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 — — EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 — — WO disclosed
US-5126347-A Autoimmune deficiency syndrome HOFFMANN-LA ROCHE INC. (US) 1992-06-30 — — 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-10253360-B2 BNA clamp method SLC28A1, SLC28A2, NAAA FDPS 4672/4885P2RX7 2042/4885HDAC6 4502/4885
US-20220152078-A1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF STING1, CGAS, NT5C2 FDPS 609/4885P2RX7 58/4885HDAC6 2890/4885

“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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