SCHEMBL18877201

SCHEMBL18877201

CCCCCCCC(CCCCCCC)n1cnc2c(=O)[nH]cnc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.49
ADA P00813 5/20 0.44
PDE2A O00408 3/20 0.44
CYP3A4 P08684 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
PNP P00491 1/20 0.43
ADORA2B P29275 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
SCHEMBL22364035 1.00 HPRT1 (0.49) HPRT1ADAPDE2ACYP3A4PDE4A
SCHEMBL20681481 1.00 HPRT1 (0.49) HPRT1ADAPDE2ACYP3A4PDE4A
SCHEMBL21127784 0.95 HPRT1 (0.47) HPRT1ADAPDE2ACYP3A4PDE4A
SCHEMBL21385659 0.88 ADA (0.46) HPRT1ADAPDE2ACYP3A4PDE4A
SCHEMBL24325936 0.84 ADA (0.44) ADAPDE2ACYP3A4PDE4APDE4B
Nosantine SCHEMBL2111679 0.84 ADA (0.65) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21385661 0.83 HPRT1 (0.55) HPRT1ALDH1A1LMNAPNP
SCHEMBL22759884 0.81 HPRT1 (0.55) HPRT1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL22380975 0.81 HPRT1 (0.55) HPRT1CYP3A4ALDH1A1SMN1; SMN2HIF1A
SCHEMBL18476745 0.81 HPRT1 (0.55) HPRT1CYP3A4ALDH1A1SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS JANSSEN PHARMACEUTICA NV (BE) 2022-02-17 US disclosed
US-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Pharmaceuticals, Inc. 2022-02-03 US disclosed
US-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2021-06-17 US disclosed
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 US disclosed
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-09-22 US disclosed
US-RE48171-E1 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-08-25 US disclosed
US-10464965-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2019-11-05 US disclosed
US-10421771-B2 2019-09-24 US disclosed
US-10307439-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2019-06-04 US disclosed
US-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2019-02-21 US disclosed
US-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-06-07 US disclosed
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 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 (12 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-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS PNP, TYMP, HAVCR2 HPRT1 7/4885ADA 21/4885PDE2A 563/4885
US-10307439-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, TYMP HPRT1 24/4885ADA 13/4885PDE2A 1525/4885
US-10464965-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, ADAR HPRT1 19/4885ADA 7/4885PDE2A 411/4885
US-20190054108-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B HPRT1 19/4885ADA 21/4885PDE2A 690/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B HPRT1 29/4885ADA 23/4885PDE2A 765/4885
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP HPRT1 24/4885ADA 13/4885PDE2A 1525/4885
US-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR HPRT1 19/4885ADA 7/4885PDE2A 411/4885
US-10421771-B2 PNP, ADAR, NT5C2 HPRT1 21/4885ADA 7/4885PDE2A 270/4885
US-20180155384-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 HPRT1 22/4885ADA 21/4885PDE2A 1215/4885
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B HPRT1 19/4885ADA 21/4885PDE2A 690/4885
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS TYMP, POLB, HMBS HPRT1 11/4885ADA 69/4885PDE2A 1856/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B HPRT1 19/4885ADA 21/4885PDE2A 690/4885

“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.