SCHEMBL170889

SCHEMBL170889

C=CCn1cnc2nc(N)[nH]c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.42
ADORA2B P29275 2/20 0.42
NPSR1 Q6W5P4 1/20 0.39
PNP P00491 5/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
PDE4A P27815 1/20 0.38
ADORA2A P29274 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
EDNRA P25101 1/20 0.38

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
SCHEMBL2400412 0.87 TK1 (0.43) TK1PNPKMT2AMEN1HSD17B10
SCHEMBL29286377 0.83 TK1 (0.46) TK1PNPKMT2AMEN1HSD17B10
SCHEMBL28712711 0.82 PNP (0.42) TK1PNPKMT2AMEN1HSD17B10
SCHEMBL4592790 0.81 ADORA2A (0.47) TK1PNPKMT2AMEN1HSD17B10
SCHEMBL1665132 0.81 TK1 (0.47) TK1PNPKMT2AMEN1HSD17B10
SCHEMBL11036998 0.81 PNP (0.41) TK1NPSR1PNPKMT2AMEN1
SCHEMBL20472443 0.80 AKR1B1 (0.44) TK1ADORA2BPNPHSD17B10ALDH1A1
SCHEMBL48223 0.78 PNP (0.42) TK1ADORA2BPNPKMT2AMEN1
SCHEMBL27710751 0.78 ADORA2A (0.52) TK1ADORA2BKMT2AMEN1ALDH1A1
SCHEMBL48362 0.78 TK1 (0.51) TK1ADORA2BPNPKMT2AMEN1

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 1679 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013071079-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-05-16 WO claimed
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2025-01-30 US disclosed
US-12042541-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-23 US disclosed
US-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing ILLUMINA CAMBRIDGE LIMITED (GB) 2024-07-23 US disclosed
WO-2024151673-A2 RECOMBINANT NUCLEIC ACID MOLECULES AND THEIR USE IN WOUND HEALING PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-07-18 WO disclosed
WO-2024151685-A1 RECOMBINANT NUCLEIC ACID MOLECULES AND THEIR USE IN WOUND HEALING BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-07-18 WO disclosed
US-20240240217-A1 NUCLEOSIDES AND NUCLEOTIDES WITH 3' BLOCKING GROUPS AND CLEAVABLE LINKERS ILLUMINA, INC. 2024-07-18 US disclosed
US-20240238210-A1 POLYNUCLEOTIDES ENCODING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR FOR THE TREATMENT OF CYSTIC FIBROSIS ARES CAPITAL CORPORATION, AS AGENT 2024-07-18 US disclosed
WO-2024151687-A1 GENETIC SWITCHES AND THEIR USE IN TREATING CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-07-18 WO disclosed
US-20240238473-A1 RECOMBINANT NUCLEIC ACID MOLECULES AND THEIR USE IN WOUND HEALING PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-07-18 US disclosed
WO-2004094595-A2 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS INC. (US) 2004-11-04 WO disclosed
WO-2004091515-A2 iRNA CONJUGATES ALNYLAM PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
WO-2004090108-A2 IRNA CONJUGATES ALNYLAM PHARMACEUTICALS (US) 2004-10-21 WO disclosed
WO-2004080406-A2 THERAPEUTIC COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2004-09-23 WO disclosed
WO-2004064737-A2 THERAPEUTICS COMPOSITIONS ALNYLAM PHARMACEUTICALS (US) 2004-08-05 WO disclosed
US-20040137456-A1 Forming abasic sites specific for at least one nucleic acid base, labeling said abasic sites, then detecting the location of the labeled molecules; atomic force microscopy; diagnosing genetic disorders; detecting bacteria or viruses; paternity ADVANCED RESEARCH & TECHNOLOGY INSTITUTE, INC. 2004-07-15 US disclosed
WO-2002081753-A1 METHOD FOR IDENTIFYING AND CHARACTERIZING INDIVIDUAL DNA MOLECULES ADVANCED RESEARCH & TECHNOLOGY INSTITUTE (US) 2002-10-17 WO disclosed
US-6252048-B1 FUSION PROTEIN FOR THE TREATMENT AND PREVENTION OF CANCER ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE 2001-06-26 US disclosed
US-6046036-A FOR INCREASING SURVIVAL RATE OF NON-TARGET CELLS SUCH AS HEMATOPOIETIC CELLS WHEN CONTACTED WITH ANTICARCINOGENIC/DNA-DAMAGING AGENTS DURING MULTIAGENT CHEMOTHERAPY PROTOCOLS OR IN FANCONI'S ANEMIA ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE (US) 2000-04-04 US disclosed
WO-1998017684-A2 DNA SEQUENCES ENCODING FUSIONS OF DNA REPAIR PROTEINS AND USES THEREOF ADVANCED RESEARCH & TECHNOLOGY INSTITUTE (US) 1998-04-30 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 (6 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-12043637-B2 Fluorescent dyes containing bis-boron fused heterocycles and uses in sequencing BLVRB, BCDIN3D, FOSB TK1 202/4885ADORA2B 954/4885NPSR1 2274/4885
US-20240240217-A1 NUCLEOSIDES AND NUCLEOTIDES WITH 3' BLOCKING GROUPS AND CLEAVABLE LINKERS NT5C2, DUT, NT5C3B TK1 22/4885ADORA2B 296/4885NPSR1 1579/4885
US-20240238473-A1 RECOMBINANT NUCLEIC ACID MOLECULES AND THEIR USE IN WOUND HEALING CHI3L2, CHI3L1, FGF2 TK1 331/4885ADORA2B 3837/4885NPSR1 3388/4885
US-12042541-B2 Lipids and compositions for the delivery of therapeutics PHOSPHO1, MBOAT1, SGMS1 TK1 470/4885ADORA2B 1519/4885NPSR1 1892/4885
US-20240238210-A1 POLYNUCLEOTIDES ENCODING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, SLC47A1, TMEM205 TK1 1852/4885ADORA2B 1915/4885NPSR1 1123/4885
US-20250034143-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TK1 1268/4885ADORA2B 577/4885NPSR1 836/4885

“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.