SCHEMBL243600

SCHEMBL243600

N[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHCY P23526 8/20 0.57
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
ADORA3 P0DMS8 5/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
PNP P00491 1/20 0.41
HTT P42858 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3A Q14432 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL293325 1.00 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL1841287 1.00 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL293326 1.00 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL1412146 0.90 AHCY (0.48) AHCYLMNATP53ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL241441 0.90 AHCY (0.48) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL26381988 0.86 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL13211900 0.86 AHCY (0.54) AHCYADORA3ADORA2AADORA1
SCHEMBL12050237 0.84 AHCY (0.56) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL8960194 0.84 AHCY (0.56) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL3007619 0.83 LMNA (0.46) AHCYLMNATP53ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2018388-B9 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2018388-B1 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2011-03-16 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 US disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (4 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 AHCY 4885/4885LMNA 3993/4885TP53 969/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 AHCY 4885/4885LMNA 3993/4885TP53 969/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 AHCY 4885/4885LMNA 1496/4885TP53 778/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 AHCY 4885/4885LMNA 3993/4885TP53 969/4885

“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.