SCHEMBL741776

SCHEMBL741776

Cc1nc(Cl)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.78
TP53 P04637 1/20 0.78
HPGD P15428 1/20 0.62
CYP2C19 P33261 1/20 0.59
NT5E P21589 1/20 0.58
HIF1A Q16665 1/20 0.58
ADORA2A P29274 2/20 0.58
ADORA2B P29275 2/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADORA1 P30542 1/20 0.58

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
SCHEMBL741775 1.00 LMNA (0.78) LMNATP53HPGDCYP2C19NT5E
SCHEMBL20724423 0.90 PDE2A (0.67) LMNATP53HPGDCYP2C19NT5E
SCHEMBL638999 0.88 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL29601320 0.88 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL639000 0.88 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL23982228 0.88 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL10607959 0.88 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL26030665 0.88 LMNA (1.00) LMNATP53HPGDADORA2AADORA2B
SCHEMBL7905972 0.88 LMNA (0.61) LMNATP53HPGDCYP2C19ADORA2A
SCHEMBL6663776 0.87 ADORA3 (0.69) LMNATP53NT5EADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
US-8501708-B2 Adenosine compounds and their use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2013-08-06 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
EP-2430036-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2012-03-21 EP disclosed
US-20110245194-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-10-06 US disclosed
WO-2010130233-A1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2010-11-18 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 (3 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP LMNA 711/4885TP53 1224/4885HPGD 236/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP LMNA 722/4885TP53 1466/4885HPGD 247/4885
US-20110245194-A1 ADENOSINE COMPOUNDS AND THEIR USE THEREOF ADORA1, ADORA2A, ADORA3 LMNA 2759/4885TP53 3916/4885HPGD 665/4885

“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.