SCHEMBL5744728

SCHEMBL5744728

NCC(=O)c1ncn(Cc2ccccc2)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 2/20 0.44
ADORA2A P29274 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
TNF P01375 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
PNP P00491 2/20 0.42
ACP1 P24666 1/20 0.42
EGLN1 Q9GZT9 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7486955 1.00 PKM (0.56) PKMTSHRGAAHPGDADORA2A
Hydrochloric Acid SCHEMBL5746470 0.99 PKM (0.55) PKMTSHRGAAHPGDADORA2A
SCHEMBL9367365 0.85 PKM (0.59) PKMTSHRGAAHPGDADORA2A
SCHEMBL14149475 0.85 PKM (0.56) PKMTSHRGAAHPGDADORA2A
SCHEMBL14105392 0.82 PKM (0.50) PKMTSHRGAAHPGDADORA2A
SCHEMBL1753177 0.78 MAPK1 (0.55) PKMTSHRGAAHPGDSMN1; SMN2
SCHEMBL14105606 0.74 TSHR (0.47) PKMTSHRGAAHPGDADORA2A
SCHEMBL4923135 0.73 HPGD (0.76) TSHRHPGDSMN1; SMN2MAPK1CYP1A2
SCHEMBL11551662 0.73 PKM (0.59) PKMTSHRGAAADORA2API4KA
SCHEMBL2808649 0.72 PKM (1.00) PKMTSHRGAAHPGDTNF

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
EP-1670809-B1 SYNTHESIS AND MANUFACTURE OF PENTOSTATIN AND ITS PRECURSORS, ANALOGS AND DERIVATIVES MAYNE PHARMA PLC (GB) 2016-01-13 EP disclosed
US-7393954-B2 Process for the production of pentostatin aglycone and pentostatin RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2008-07-01 US disclosed
US-7393954-B2 Process for the production of pentostatin aglycone and pentostatin RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2008-07-01 US disclosed
US-20060241065-A1 Ring-expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2006-10-26 US disclosed
EP-1227103-B1 Ring-expanded nucleosides and nucleotides NABI (US) 2006-07-26 EP disclosed
US-20040077564-A1 Ring expanded nucleosides and nucleotides UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2004-04-22 US disclosed
US-6677310-B1 ANTICARCINOGENIC AGENTS; BACTERICIDES, FUNGICIDES, PARASITICIDES; VIRICIDES AGAINST HEPATITIS, EPSTEIN-BARR, CYTOMEGALO AND HUMAN IMMUNODEFICIENCY VIRUS NABI 2004-01-13 US disclosed
EP-0724587-B8 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES NABI (US) 2003-01-29 EP disclosed
EP-0724587-B1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES NABI (US) 2002-09-04 EP disclosed
EP-1227103-A2 Ring-expanded nucleosides and nucleotides Nabi (US) 2002-07-31 EP disclosed
US-5843912-A Ring-expanded nucleosides and nucleotides UNIVERSY OF MARYLAND (US) 1998-12-01 US disclosed
EP-0724587-A4 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES BURNS BARRY (US) 1996-12-27 EP disclosed
EP-0724587-A1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES Burns, Barry (US) 1996-08-07 EP disclosed
WO-1995009175-A1 RING-EXPANDED NUCLEOSIDES AND NUCLEOTIDES BURNS BARRY (US) 1995-04-06 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 (2 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-20060241065-A1 Ring-expanded nucleosides and nucleotides PNP, UMPS, ADA PKM 1934/4885TSHR 4282/4885GAA 767/4885
US-20040077564-A1 Ring expanded nucleosides and nucleotides PNP, PAICS, UMPS PKM 1829/4885TSHR 4160/4885GAA 641/4885

“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.