SCHEMBL4970560

SCHEMBL4970560

Nc1ncnn2c([C@H]3CC[C@@H](CO)O3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 3/20 0.39
▸ ACVRL1 P37023 3/20 0.36
▸ DOT1L Q8TEK3 3/20 0.35
▸ POLRMT O00411 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ PIK3CD O00329 2/20 0.31
▸ TNK2 Q07912 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ STING1 Q86WV6 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALB P02768 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TNIK Q9UKE5 1/20 0.30

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
SCHEMBL19344220 1.00 CYP2A6 (0.39) CYP2A6ACVRL1DOT1LPOLRMTMAP4K4
SCHEMBL19343962 1.00 CYP2A6 (0.39) CYP2A6ACVRL1DOT1LPOLRMTMAP4K4
SCHEMBL18667150 1.00 CYP2A6 (0.39) CYP2A6ACVRL1DOT1LPOLRMTMAP4K4
SCHEMBL20834955 0.90 DOT1L (0.35) CYP2A6ACVRL1DOT1LPOLRMTMAP4K4
SCHEMBL19344234 0.88 CYP2A6 (0.39) CYP2A6ACVRL1DOT1LPOLRMTMAP4K4
SCHEMBL24058306 0.86 POLRMT (0.35) DOT1LPOLRMTMAP4K4STING1TNIK
SCHEMBL23959828 0.83 CYP2A6 (0.38) CYP2A6
SCHEMBL24606310 0.82 DOT1L (0.36) DOT1LPOLRMTPIK3CD
SCHEMBL24340458 0.82 POLRMT (0.43) DOT1LPOLRMT
SCHEMBL22355531 0.82 POLRMT (0.43) DOT1LPOLRMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389750-A1 NUCLEOSIDE DERIVATIVES AND PRODRUGS THEREOF HAVING VIRAL GROWTH INHIBITORY ACTION Shionogi & Co., Ltd. (JP) 2024-06-26 — — EP disclosed
WO-2023115796-A1 NEW CRYSTAL FORM OF NUCLEOSIDE COMPOUND AND SALT THEREOF 深圳安泰维生物医药有限公司 2023-06-29 — — WO disclosed
WO-2023011994-A1 PROCESS FOR THE CATALYTIC GLYCOSYLATION OF ARENES STUDIENGESELLSCHAFT KOHLE MBH (DE) 2023-02-09 — — WO disclosed
EP-4130001-A1 PROCESS FOR THE DIRECT CATALYTIC GLYCOSYLATION OF ARENES Studiengesellschaft Kohle mbH (DE) 2023-02-08 — — EP disclosed
EP-3505173-B1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES INC (US) 2022-07-06 — — EP disclosed
EP-3212175-B1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES INC (US) 2021-11-24 — — EP disclosed
WO-2021213288-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG 中国科学院上海药物研究所 (CN) 2021-10-28 — — WO disclosed
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
EP-3505173-A1 PYRROLO[1,2-F][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2019-07-03 — — EP disclosed
WO-2017153186-A1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-09-14 — — WO disclosed
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-17 — — US disclosed
US-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-05-03 — — US disclosed
WO-2012012776-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-01-26 — — 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 (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-20120107274-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NUDT1, SLC29A2 CYP2A6 1074/4885ACVRL1 2646/4885DOT1L 1151/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD CYP2A6 3758/4885ACVRL1 4215/4885DOT1L 3212/4885

“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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