SCHEMBL3023218

SCHEMBL3023218

O=C(O)N(C(=O)O)[C@@H]1C=C[C@H](n2cnc3c(Cl)nc(Cl)nc32)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P2RX7 Q99572 2/20 0.38
TMIGD3 P0DMS9 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ADCY5 O95622 11/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37

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
SCHEMBL239530 0.84 LMNA (0.39) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL1911345 0.82 LMNA (0.38) LMNATP53ALDH1A1MAPTTDP1
Bicarbonate SCHEMBL3023220 0.81 LMNA (0.42) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242414 0.80 LMNA (0.38) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8918687 0.79 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242794 0.79 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4353816 0.78 LMNA (0.37) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL4432120 0.77 LMNA (0.37) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8960152 0.76 LMNA (0.43) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL30827039 0.76 LMNA (0.52) LMNATP53ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 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 (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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 LMNA 2449/4885TP53 4185/4885ALDH1A1 596/4885

“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.