SCHEMBL10036571

SCHEMBL10036571

O=C(Nc1nc(-c2ccc(O)c(O)c2)cs1)c1ccc(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 2/20 1.00
RRM2B Q7LG56 2/20 1.00
MEN1 O00255 3/20 0.55
POLB P06746 3/20 0.55
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
MCL1 Q07820 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SCD O00767 1/20 0.55
HSPD1 P10809 1/20 0.54
HSPE1 P61604 1/20 0.54
TOP1 P11387 1/20 0.54
NPC1 O15118 1/20 0.53
ALPL P05186 1/20 0.53
ALPI P09923 1/20 0.53
ALPG P10696 1/20 0.53

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
SCHEMBL10036572 0.90 RRM1 (1.00) RRM1RRM2BMEN1KMT2AGAA
SCHEMBL10036568 0.83 RRM1 (0.71) RRM1RRM2BMEN1POLBKMT2A
SCHEMBL11137540 0.82 RRM1 (0.70) RRM1RRM2BMEN1POLBKMT2A
SCHEMBL10002070 0.79 RRM1 (0.65) RRM1RRM2BMEN1KMT2AMAPT
SCHEMBL3597550 0.78 RRM1 (0.64) RRM1RRM2BMEN1POLBKMT2A
SCHEMBL12248965 0.78 PARP1 (0.65) RRM1RRM2BMEN1KMT2AMAPT
SCHEMBL18425638 0.78 RRM1 (0.63) RRM1RRM2BMEN1POLBKMT2A
SCHEMBL18425097 0.78 ADORA3 (0.69) RRM1RRM2BMEN1POLBKMT2A
SCHEMBL18426009 0.78 RRM1 (0.62) RRM1RRM2BMEN1POLBKMT2A
SCHEMBL12249017 0.77 RRM1 (0.62) RRM1RRM2BMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161461-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2019-05-30 US disclosed
EP-2809662-B1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE HOPE CITY (US) 2018-07-04 EP disclosed
US-20180155303-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2018-06-07 US disclosed
US-9796692-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2017-10-24 US disclosed
US-20170137392-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2017-05-18 US disclosed
US-9598385-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2017-03-21 US disclosed
US-20160122308-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2016-05-05 US disclosed
US-9126960-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2015-09-08 US disclosed
US-20150087844-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2015-03-26 US disclosed
US-RE45020-E1 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2014-07-15 US disclosed
WO-2013116765-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE (US) 2013-08-08 WO disclosed
US-8372983-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2013-02-12 US disclosed
US-20120253048-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2012-10-04 US disclosed
US-8163783-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2012-04-24 US disclosed
US-20110245304-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2011-10-06 US disclosed
US-7956076-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2011-06-07 US disclosed
US-7956076-B2 Ribonucleotide reductase inhibitors and methods of use CITY OF HOPE (US) 2011-06-07 US disclosed
US-20090258915-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2009-10-15 US disclosed
US-20090258915-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE CITY OF HOPE 2009-10-15 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 (8 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-20150087844-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4259/4885
US-20160122308-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4259/4885
US-20090258915-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4435/4885
US-20180155303-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4259/4885
US-20170137392-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4259/4885
US-20120253048-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4259/4885
US-20110245304-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4435/4885
US-20190161461-A1 RIBONUCLEOTIDE REDUCTASE INHIBITORS AND METHODS OF USE RRM2, RRM2B, RRM1 RRM1 3/4885RRM2B 2/4885MEN1 4259/4885

“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.