SCHEMBL5746383

SCHEMBL5746383

N#Cc1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ GAPDH P04406 2/20 0.47
▸ P2RX3 P56373 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ P2RX2 Q9UBL9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ HRAS P01112 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ENPP1 P22413 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
SCHEMBL10620690 0.90 MEN1 (0.54) MEN1USP2POLBKMT2ACA1
SCHEMBL11320454 0.89 MEN1 (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL15962206 0.85 P2RX3 (0.40) MEN1USP2POLBKMT2ACA1
SCHEMBL27527014 0.81 MEN1 (0.51) MEN1USP2POLBKMT2ACA1
SCHEMBL20078065 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL15702572 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL15705224 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL2295858 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL13376162 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL13019185 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 — — US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 — — US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 — — US disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 — — 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
US-6069132-A PYRIMIDOPHOSOHAZOLE RING SYSTEM OF GIVEN STRUCTURE, THE TRIVALENT PHOSPHORUS OF THE RING SUBSTITUTED WITH VARIOUS GROUPS; NEW CLASS OF PHOSPHORUS CONTAINING HETEROCYCLES WITH APPLICATION IN MEDICAL, AGRICULTURAL AND INDUSTRIAL USE ARONEX PHARMACEUTICALS, INC. 2000-05-30 — — US disclosed
US-5843912-A Ring-expanded nucleosides and nucleotides UNIVERSY OF MARYLAND (US) 1998-12-01 — — 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 (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-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP MEN1 3963/4885USP2 2280/4885POLB 1667/4885
US-20060241065-A1 Ring-expanded nucleosides and nucleotides PNP, UMPS, ADA MEN1 2103/4885USP2 4113/4885POLB 433/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP MEN1 3963/4885USP2 2280/4885POLB 1667/4885
US-20040077564-A1 Ring expanded nucleosides and nucleotides PNP, PAICS, UMPS MEN1 2287/4885USP2 4306/4885POLB 365/4885

“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.

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