SCHEMBL10169348

SCHEMBL10169348

Cn1cnc2c(NC3CC3)nc(N)nc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
PMP22 Q01453 1/20 0.56
NR1I2 O75469 1/20 0.54
ALB P02768 1/20 0.54
PDE4D Q08499 1/20 0.54
CDK1 P06493 2/20 0.53
ADORA3 P0DMS8 4/20 0.53
ADORA2A P29274 4/20 0.53
POLB P06746 2/20 0.50
ABCB1 P08183 5/20 0.47
ADORA2B P29275 2/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL19863482 0.83 NR1I2 (0.52) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL21348744 0.82 YTHDC1 (0.66) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL23416665 0.82 NR1I2 (0.54) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL11303595 0.82 NR1I2 (0.51) ADORA1CYP1A2CYP3A4CYP2D6PKM
SCHEMBL10137840 0.82 CDK2 (0.60) NR1I2ALBPDE4DCDK1CCNB1
SCHEMBL13751696 0.82 CDK1 (0.58) NR1I2ALBPDE4DCDK1POLB
SCHEMBL31058758 0.80 POLB (0.61) ADORA1NR1I2ALBPDE4DADORA3
SCHEMBL31058754 0.80 CDK2 (0.55) ADORA1NR1I2ALBPDE4DCDK1
SCHEMBL31058759 0.80 POLB (0.61) ADORA1NR1I2ALBPDE4DADORA3
SCHEMBL13828378 0.80 YTHDC1 (0.66) ADORA1PDE4DCDK1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11813278-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2023-11-14 US disclosed
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS INC (US) 2023-09-21 US disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
EP-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 EP disclosed
US-11147809-B2 Methods of treating neurofibromatosis with perillyl alcohol Neonc Technologies, Inc. (US) 2021-10-19 US disclosed
US-20210085681-A1 COMPOSITIONS AND METHODS FOR TREATING RETINAL DEGRADATION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2021-03-25 US disclosed
WO-2021034373-A1 CONJUGATES OF GUIDE RNA-CAS PROTEIN COMPLEX ZHONG MINGHONG (US) 2021-02-25 WO disclosed
US-20210054371-A1 Conjugates of Guide RNA-Cas Protein Complex ZHONG MINGHONG (US) 2021-02-25 US disclosed
US-20200222442-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT Atea Pharmaceuticals, Inc. (US) 2020-07-16 US disclosed
CN-101429215-A Process for selectively producing 1-phosphorylated sugar derivative anomer and process for producing nucleoside MITSUI CHEMICALS INC (JP) 2009-05-13 CN disclosed
EP-1573019-B1 STEREOSELECTIVE PROCESS FOR THE PRODUCTION OF DIOXOLANE NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2009-01-14 EP disclosed
US-7442813-B2 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC. (CA) 2008-10-28 US disclosed
US-7442813-B2 Process for producing dioxolane nucleoside analogues SHIRE BIOCHEM INC. (CA) 2008-10-28 US disclosed
US-20070197784-A1 Process for producing dioxolane nucleoside analogues TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
US-20070197784-A1 Process for producing dioxolane nucleoside analogues TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 US disclosed
CN-1867576-A Alpha-1-phosphorylated-2-deoxy-2-fluoroarabinoside and process for producing 2' -deoxy-2' -fluoro-beta-D-arabinonucleosid e YAMASA CORP (JP) 2006-11-22 CN disclosed
CN-1238519-C Process for producing nucleoside compound MITSUI CHEMICALS INC (JP) 2006-01-25 CN disclosed
CN-1372564-A Process for selectively preparing anomers of 1-phosphorylated sugar derivatives and process for preparing nucleosides MITSUI CHEMICALS INC (JP) 2002-10-02 CN disclosed
CN-1361827-A Process for producing nucleoside compound MITSUI CHEMICALS INC (JP) 2002-07-31 CN 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 (7 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-20230295212-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE EHMT1, POLRMT, RNASE1 ADORA1 1163/4885CYP1A2 3088/4885CYP3A4 3622/4885
US-11147809-B2 Methods of treating neurofibromatosis with perillyl alcohol PMP22, CHAT, REL ADORA1 4722/4885CYP1A2 2160/4885CYP3A4 3770/4885
US-20200222442-A1 2'-SUBSTITUTED-N6-SUBSTITUTED PURINE NUCLEOTIDES FOR RNA VIRUS TREATMENT NSUN2, ADAR, NSUN3 ADORA1 115/4885CYP1A2 2467/4885CYP3A4 2594/4885
US-11813278-B2 Highly active compounds against COVID-19 PNP, ACE2, MTAP ADORA1 132/4885CYP1A2 1898/4885CYP3A4 1696/4885
US-20210085681-A1 COMPOSITIONS AND METHODS FOR TREATING RETINAL DEGRADATION ALDH1A2, UNG, DNASE1L3 ADORA1 1722/4885CYP1A2 4673/4885CYP3A4 4746/4885
US-20210054371-A1 Conjugates of Guide RNA-Cas Protein Complex SARNP, SLIRP, NSUN3 ADORA1 3019/4885CYP1A2 4752/4885CYP3A4 4580/4885
US-20070197784-A1 Process for producing dioxolane nucleoside analogues NUDT1, DPYD, DUT ADORA1 40/4885CYP1A2 801/4885CYP3A4 1093/4885

“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.