SCHEMBL3462675

SCHEMBL3462675

Nc1nc2c(ncn2CC2CCCCC2)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.64
PNP P00491 8/20 0.55
TK1 P04183 2/20 0.55
BLM P54132 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
EDNRA P25101 1/20 0.54
HTR2A P28223 1/20 0.54
RECQL P46063 1/20 0.54
HBB P68871 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52

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
Hydrochloric Acid SCHEMBL17186625 0.99 HPRT1 (0.63) HPRT1PNPTK1BLMUSP2
SCHEMBL6270960 0.99 HPRT1 (0.66) HPRT1PNPTK1BLMUSP2
SCHEMBL8447170 0.93 HPRT1 (0.62) HPRT1PNPTK1BLMUSP2
SCHEMBL9369529 0.84 TK1 (0.56) HPRT1PNPTK1BLMUSP2
SCHEMBL9369416 0.84 TK1 (0.56) HPRT1PNPTK1BLMUSP2
Hydrochloric Acid SCHEMBL17186500 0.84 PNP (0.61) HPRT1PNPTK1BLMUSP2
SCHEMBL6268516 0.83 HPRT1 (0.55) HPRT1PNPTK1BLMUSP2
SCHEMBL9364800 0.83 TK1 (0.57) HPRT1PNPTK1BLMUSP2
Hydrochloric Acid SCHEMBL17186260 0.82 PNP (0.62) HPRT1PNPTK1BLMUSP2
SCHEMBL9367676 0.81 TK1 (0.57) HPRT1PNPTK1BLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220195497-A1 HYBRIDIZING all-LNA OLIGONUCLEOTIDES ROCHE DIAGNOSTICS OPERATIONS, INC. 2022-06-23 US claimed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 EP claimed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN claimed
WO-2020245377-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-12-10 WO claimed
US-20240034799-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS SINAI MEDICAL CENTER (US) 2024-02-01 US disclosed
US-20230279491-A1 TREATMENTS FOR A SUB-POPULATION OF INFLAMMATORY BOWEL DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER 2023-09-07 US disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20220195497-A1 HYBRIDIZING all-LNA OLIGONUCLEOTIDES ROCHE DIAGNOSTICS OPERATIONS, INC. 2022-06-23 US disclosed
EP-3980554-A1 HYBRIDIZING ALL-LNA OLIGONUCLEOTIDES F. Hoffmann-La Roche AG (CH) 2022-04-13 EP disclosed
CN-113939599-A Hybrid all-LNA oligonucleotides 豪夫迈·罗氏有限公司 2022-01-14 CN disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-6677345-B1 PYRMIDINE DERIVATIVE ANTITUMOR AND ANTIPROLIFERATIVE AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-01-13 US disclosed
EP-1353922-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES Cancer Research Technology Limited (GB) 2003-10-22 EP disclosed
US-20030171583-A1 Methods for the synthesis of substituted purines IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2003-09-11 US disclosed
WO-2002059125-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2002-08-01 WO disclosed
US-6303618-B1 ADMINISTERING PURINE COMPOUND WHICH INHIBITS CYCLIC DEPENDENT KINASE ACTIVITY FOR THERAPY OF TUMOR OR OTHER CELL PROLIFERATION DISORDER CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-10-16 US disclosed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 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 (1 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-20030171583-A1 Methods for the synthesis of substituted purines PNP, ATIC, NUDT1 HPRT1 12/4885PNP 1/4885TK1 145/4885

“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.