SCHEMBL19260795

SCHEMBL19260795

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+]

nearest known ligand 0.66

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 known ✓ P47900 10/20 0.66
P2RY2 known ✓ P41231 3/20 0.61
ADORA1 known ✓ P30542 1/20 0.61
PDE4D known ✓ Q08499 1/20 0.61
PDE3A known ✓ Q14432 1/20 0.61
P2RY11 Q96G91 3/20 0.66
ENPP1 P22413 3/20 0.64
TSHR P16473 1/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
BLM P54132 1/20 0.63
SRC P12931 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
P2RX1 P51575 1/20 0.61
P2RX3 P56373 1/20 0.61
P2RX4 Q99571 1/20 0.61
P2RX2 Q9UBL9 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TRPM2 O94759 2/20 0.61
DNPH1 O43598 1/20 0.61

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
SCHEMBL1526121 0.93 P2RY1 (0.66) P2RY1P2RY11ENPP1P2RY2SRC
SCHEMBL22099721 0.90 P2RY1 (0.69) P2RY1P2RY11ENPP1TSHRKDM4E
SCHEMBL29354292 0.89 P2RY1 (0.77) P2RY1P2RY11P2RY2SRCSMN1; SMN2
Adenosine Phosphate SCHEMBL2828289 0.88 P2RY1 (0.76) P2RY1P2RY11ENPP1P2RY2SRC
SCHEMBL29389326 0.88 P2RY1 (0.75) P2RY1P2RY11P2RY2SRCSMN1; SMN2
Potassium Ion SCHEMBL9616871 0.88 P2RY1 (0.63) P2RY1P2RY11ENPP1TSHRKDM4E
SCHEMBL375102 0.86 RNASEL (0.61) P2RY1P2RY11ENPP1P2RY2SRC
SCHEMBL8508626 0.85 P2RY1 (0.63) P2RY1P2RY11ENPP1P2RY2SRC
Adenosine Triphosphate SCHEMBL985843 0.84 P2RY1 (0.71) P2RY1P2RY11P2RY2SRCSMN1; SMN2
SCHEMBL4329344 0.84 RNASEL (0.55) P2RY1P2RY11ENPP1P2RY2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240091249-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA, INC. (US) 2024-03-21 US disclosed
US-11857561-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) INVIRSA, INC. (US) 2024-01-02 US disclosed
US-20230414647-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA, INC. (US) 2023-12-28 US disclosed
US-11793826-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) INVIRSA, INC. (US) 2023-10-24 US disclosed
EP-4226971-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) Invirsa, Inc. (US) 2023-08-16 EP disclosed
EP-3773604-B1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA INC (US) 2023-04-19 EP disclosed
EP-3978003-A1 MEDICAL USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) Invirsa, Inc. (US) 2022-04-06 EP disclosed
US-20220054522-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA, INC. (US) 2022-02-24 US disclosed
EP-3416654-B1 MEDICAL USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA INC (US) 2021-10-27 EP disclosed
US-11110112-B2 Methods for the use of 5'-adenosine diphosphate ribose (ADPR) INVIRSA, INC. (US) 2021-09-07 US disclosed
US-20210161936-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA, INC. (US) 2021-06-03 US disclosed
US-10946034-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) INVIRSA, INC. (US) 2021-03-16 US disclosed
US-20200330498-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) Invirsa, Inc (US) 2020-10-22 US disclosed
US-20190298752-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA, INC. (US) 2019-10-03 US disclosed
EP-3416654-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) Invirsa, Inc. (US) 2018-12-26 EP disclosed
WO-2017143113-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) INVIRSA, INC. (US) 2017-08-24 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 (10 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-20190298752-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) SIRT6, ADAR, SIRT1 P2RY1 342/4885P2RY2 532/4885ADORA1 157/4885
US-11110112-B2 Methods for the use of 5'-adenosine diphosphate ribose (ADPR) ADAR, CD38, PARP1 P2RY1 51/4885P2RY2 89/4885ADORA1 22/4885
US-10946034-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) SIRT6, ADAR, SIRT1 P2RY1 357/4885P2RY2 552/4885ADORA1 168/4885
US-11793826-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) SIRT6, ADAR, SIRT1 P2RY1 357/4885P2RY2 552/4885ADORA1 168/4885
US-11857561-B2 Methods for the use of 5′-adenosine diphosphate ribose (ADPR) ADAR, CD38, PARP1 P2RY1 54/4885P2RY2 91/4885ADORA1 22/4885
US-20210161936-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) SIRT6, ADAR, SIRT1 P2RY1 342/4885P2RY2 532/4885ADORA1 157/4885
US-20230414647-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) SIRT6, ADAR, SIRT1 P2RY1 342/4885P2RY2 532/4885ADORA1 157/4885
US-20240091249-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) ADAR, CD38, PARP1 P2RY1 51/4885P2RY2 89/4885ADORA1 22/4885
US-20220054522-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) ADAR, CD38, PARP1 P2RY1 51/4885P2RY2 89/4885ADORA1 22/4885
US-20200330498-A1 METHODS FOR THE USE OF 5'-ADENOSINE DIPHOSPHATE RIBOSE (ADPR) ADAR, CD38, PARP1 P2RY1 51/4885P2RY2 89/4885ADORA1 22/4885

“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.