SCHEMBL2040670

SCHEMBL2040670

NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ ADORA3 P0DMS8 2/20 0.76
▸ ADORA2A P29274 2/20 0.76
▸ ADORA2B P29275 2/20 0.76
▸ DPP4 P27487 1/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ SLC28A1 O00337 1/20 0.76
▸ MAP3K7 O43318 1/20 0.76
▸ SLC28A2 O43868 1/20 0.76
▸ GAPDH P04406 1/20 0.76
▸ MAPK1 P28482 1/20 0.76
▸ STAT6 P42226 1/20 0.76
▸ PI4KA P42356 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ PI4K2B Q8TCG2 1/20 0.76
▸ DOT1L Q8TEK3 1/20 0.76
▸ SLC29A1 Q99808 1/20 0.76
▸ PI4K2A Q9BTU6 1/20 0.76
▸ SLC28A3 Q9HAS3 1/20 0.76

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
SCHEMBL481524 1.00 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL17440176 1.00 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL10997946 0.91 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL7803298 0.91 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL12963362 0.91 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL5024895 0.91 ADORA1 (0.76) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15788449 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL384075 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL15338502 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B
SCHEMBL41361 0.89 ADORA1 (0.74) ADORA1SMN1; SMN2ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230324392-A1 METHODS AND COMPOSITIONS FOR TARGETING CYTOSOLIC DSDNA SIGNALING IN CHROMOSOMALLY UNSTABLE CANCERS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-10-12 — — US claimed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 — — US claimed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 — — EP claimed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 — — WO claimed
US-20230324392-A1 METHODS AND COMPOSITIONS FOR TARGETING CYTOSOLIC DSDNA SIGNALING IN CHROMOSOMALLY UNSTABLE CANCERS MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-10-12 — — US disclosed
EP-4208572-A1 METHODS AND COMPOSITIONS FOR TARGETING CYTOSOLIC DSDNA SIGNALING IN CHROMOSOMALLY UNSTABLE CANCERS Memorial Sloan Kettering Cancer Center (US) 2023-07-12 — — EP disclosed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 — — US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 — — EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 — — WO disclosed
US-7465544-B2 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-16 — — US disclosed
EP-1578931-A4 METHODS OF IDENTIFYING COMPOUNDS THAT MODULATE IL-4 RECEPTOR-MEDIATED IGE SYNTHESIS UTILIZING AN ADENOSINE KINASE RIGEL PHARMACEUTICALS INC (US) 2007-09-12 — — EP disclosed
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-12 — — US disclosed
US-20060166201-A1 Method for the detection of nucleic acid sequences by means of crackable probe molecules EPIGENOMICS AG (DE) 2006-07-27 — — US disclosed
EP-1578931-A2 METHODS OF IDENTIFYING COMPOUNDS THAT MODULATE IL-4 RECEPTOR-MEDIATED IGE SYNTHESIS UTILIZING AN ADENOSINE KINASE Rigel Pharmaceuticals, Inc. (US) 2005-09-28 — — EP disclosed
WO-2004007680-A2 METHODS OF IDENTIFYING COMPOUNDS THAT MODULATE IL-4 RECEPTOR-MEDIATED IGE SYNTHESIS UTILIZING AN ADENOSINE KINASE RIGEL PHARMACEUTICALS, INC. (US) 2004-01-22 — — 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP ADORA1 330/4885SMN1; SMN2 3926/4885ADORA3 362/4885
US-20070161007-A1 Synthetic cofactor analogs of S-adenosylmethionine as ligatable probes of biological methylation and methods for their use DNMT1, MAT2A, MAT1A ADORA1 294/4885SMN1; SMN2 1406/4885ADORA3 236/4885

“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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