SCHEMBL140621

SCHEMBL140621

Nc1ncc2[nH][c]nc2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
RXFP1 Q9HBX9 1/20 0.40
MAPKAPK2 P49137 1/20 0.31
CLK1 P49759 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL5294327 0.72 HPGD (0.34) ALDH1A1
SCHEMBL442176 0.68 ALDH1A1 (0.33) ALDH1A1
2-Aminopurine SCHEMBL5634 0.67 ALDH1A1 (1.00) ALDH1A1RXFP1
SCHEMBL31561546 0.67 ALDH1A1 (0.53) ALDH1A1RXFP1
SCHEMBL237122 0.67 ALDH1A1 (0.53) ALDH1A1RXFP1
SCHEMBL5758003 0.66
SCHEMBL190527 0.66 KDM4E (0.46) ALDH1A1
2-Aminopurine SCHEMBL3144589 0.65 ALDH1A1 (0.96) ALDH1A1RXFP1
2-Aminopurine SCHEMBL357699 0.65 ALDH1A1 (0.96) ALDH1A1RXFP1
SCHEMBL170860 0.65 ALDH1A1 (0.52) ALDH1A1RXFP1MAPKAPK2CLK1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076310-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-12-13 US claimed
US-20110009606-A1 Synthesis of 2',3' - and 3',5' -cyclic phosphate mono-and oligonucleotides CHEMGENES CORPORATION 2011-01-13 US claimed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP claimed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 WO claimed
WO-2024135721-A1 METHOD FOR PRODUCING PRODUCTION INTERMEDIATE, PRODUCTION INTERMEDIATE THEREOF, AND METHOD FOR PRODUCING CROSSLINKED ARTIFICIAL NUCLEIC ACID INTERMEDIATE BY USING SAME 田辺三菱製薬株式会社 2024-06-27 WO disclosed
EP-1301519-B2 PRODRUGS OF PHOSPHONATE NUCLEOTIDE ANALOGUES AND METHODS FOR SELECTING AND MAKING SAME GILEAD SCIENCES INC (US) 2021-11-10 EP disclosed
US-10961269-B2 Bridged nucleic acid GuNA, method for producing same, and intermediate compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-03-30 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
EP-3539546-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-09-18 EP disclosed
US-20180251488-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-06 US disclosed
EP-3351548-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-07-25 EP disclosed
EP-3020712-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2018-07-04 EP disclosed
EP-0874858-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1998-11-04 EP disclosed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US disclosed
WO-1997024361-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1997-07-10 WO disclosed
EP-0719274-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP disclosed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
WO-1995007919-A1 METHOD FOR DOSING THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 1995-03-23 WO disclosed
EP-0502447-A1 Tetrahydrofuran intermediates Bristol-Myers Squibb Company (US) 1992-09-09 EP 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 (4 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-20110009606-A1 Synthesis of 2',3' - and 3',5' -cyclic phosphate mono-and oligonucleotides ITPA, NT5C2, NT5C3B ALDH1A1 4166/4885RXFP1 4205/4885MAPKAPK2 4103/4885
US-10961269-B2 Bridged nucleic acid GuNA, method for producing same, and intermediate compound POLRMT, POLM, NSUN2 ALDH1A1 808/4885RXFP1 4743/4885MAPKAPK2 3137/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885RXFP1 4837/4885MAPKAPK2 1971/4885
US-20180251488-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND NSUN2, RNMT, POLRMT ALDH1A1 1062/4885RXFP1 2944/4885MAPKAPK2 4223/4885

“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.