SCHEMBL258936

SCHEMBL258936

CCC(=O)NN1CN([C@@H]2O[C@H](CO)C(O)C2O)c2nc(Cl)nc(N)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
PDE2A O00408 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ADRA1A P35348 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 1/20 0.36
NT5E P21589 1/20 0.35
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.34
PYGB P11216 1/20 0.34
MTOR P42345 2/20 0.34
THRB P10828 1/20 0.34
MDM2 Q00987 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL177666 0.85 HSPA8 (0.44) SMN1; SMN2ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL3486436 0.82 ADORA2A (0.51) ADORA3ADORA2AADORA1
SCHEMBL2295173 0.80 ADORA2A (0.48) ADORA3ADORA2AADORA1
SCHEMBL726188 0.78 ADORA2A (0.46) ALDH1A1ADORA3ADORA2AADORA1THPO
SCHEMBL1081739 0.78 ADORA2A (0.57) ALDH1A1ADORA3ADORA2AADORA1PMP22
SCHEMBL940191 0.78 ADORA2A (0.46) ADORA3ADORA2A
Hydrochloric Acid SCHEMBL6754870 0.78 ADORA2A (0.56) ALDH1A1ADORA3ADORA2AADORA1PMP22
SCHEMBL7744270 0.78 MAPK1 (0.40) SMN1; SMN2ALDH1A1TP53GAAPYGB
SCHEMBL6636043 0.77 MAPK1 (0.38) ALDH1A1ADORA3ADORA2AADORA1TP53
Hydrochloric Acid SCHEMBL2031973 0.77 ADORA2A (0.55) ALDH1A1ADORA3ADORA2AADORA1PMP22

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
US-8133880-B2 Purine derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-03-13 US disclosed
EP-1802316-B1 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2011-11-02 EP disclosed
US-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2011-03-10 US disclosed
EP-1802316-A2 PURINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006034190-A2 PURINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2006-03-30 WO disclosed
EP-0515514-B1 2-ARALKOXY AND 2-ALKOXY ADENOSINE DERIVATIVES AS CORONARY VASODILATORS AND ANTIHYPERTENSIVE AGENTS DISCOVERY THERAPEUTICS INC (US) 2000-08-30 EP disclosed
US-RE36494-E 2-aralkoxy and 2-alkoxy adenosine derivatives as coronary vasodilators and antihypertensive agents DISCOVERY THERAPEUTICS, INC. (US) 2000-01-11 US disclosed
US-5140015-A Racemic mixture for inducing an adenosine response in humans and animals WHITBY RESEARCH, INC. (US) 1992-08-18 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 (1 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-20110059915-A1 PURINE DERIVATIVES AND METHODS OF USE THEREOF PNP, NUDT1, HPRT1 LMNA 1029/4885SMN1; SMN2 1205/4885ALDH1A1 488/4885

“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.