SCHEMBL1334669

SCHEMBL1334669

CCC(O)CNCCn1c(Cc2ccccc2)nc2c1c(=O)n(CCCN(C)C)c(=O)n2CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARN O95453 1/20 0.40
CNOT7 Q9UIV1 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL1333165 0.91 ADORA2B (0.41) SMN1; SMN2ADORA1LMNATSHRNPSR1
SCHEMBL1334500 0.91 PARN (0.41) PARNCNOT7SMN1; SMN2ADORA1LMNA
SCHEMBL1332639 0.90 SMN1; SMN2 (0.41) SMN1; SMN2ADORA1LMNATSHRALDH1A1
SCHEMBL1334351 0.90 PARN (0.41) PARNCNOT7SMN1; SMN2ADORA1LMNA
SCHEMBL1332476 0.89 ADORA1 (0.41) SMN1; SMN2ADORA1LMNATSHRALDH1A1
SCHEMBL1334710 0.85 PARN (0.38) PARNCNOT7SMN1; SMN2ADORA1LMNA
SCHEMBL1334831 0.84 ADORA1 (0.45) CNOT7SMN1; SMN2ADORA1LMNATSHR
SCHEMBL1333052 0.84 KMT2A (0.41) SMN1; SMN2ADORA1LMNAALDH1A1NPSR1
SCHEMBL1333502 0.84 ADORA3 (0.38) SMN1; SMN2ADORA1LMNATSHRADORA2A
SCHEMBL1334307 0.83 ADORA2B (0.47) SMN1; SMN2ADORA1LMNATSHRNPSR1

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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES WILSON CONSTANCE N (US) 2011-11-17 US disclosed
US-7902360-B2 e.g. 3-[2-(4-aminophenyl)ethyl]-8-benzyl-7-(2-ethylamino)ethyl-1-propylxanthine; A1-adenosine receptor antagonist; antiallergen, antiinflammatory agent; AIDS and immune deficiency disorders, asthma; good water solubility WILSON CONSTANCE N 2011-03-08 US disclosed
EP-1636229-A4 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA INC (US) 2008-07-30 EP disclosed
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ENDACEA, INC. (US) 2007-12-06 US disclosed
US-7247639-B2 A1 adenosine receptor antagonists ENDACEA, INC. (US) 2007-07-24 US disclosed
EP-1636229-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS Endacea, Inc. (US) 2006-03-22 EP disclosed
US-20050187226-A1 A1 adenosine receptor antagonists ENDACEA, INC. 2005-08-25 US disclosed
WO-2005009343-A2 A1 ADENOSINE RECEPTOR ANTOGONISTS ENDACEA, INC. (US) 2005-02-03 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-20110282031-A1 A1 ADENOSINE RECEPTOR DIAGNOSTIC PROBES ADORA1, ADORA3, ADORA2A PARN 1467/4885CNOT7 2310/4885SMN1; SMN2 4162/4885
US-20070282105-A1 A1 ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA3, ADORA2A PARN 2321/4885CNOT7 2240/4885SMN1; SMN2 2150/4885
US-20050187226-A1 A1 adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 PARN 2541/4885CNOT7 3449/4885SMN1; SMN2 1704/4885

“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.