SCHEMBL4980377

SCHEMBL4980377

CONS(=O)(=O)c1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 2/20 0.57
PDE2A O00408 1/20 0.57
PDE5A O76074 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
APEX1 P27695 1/20 0.57
PDE4A P27815 1/20 0.57
BLM P54132 1/20 0.57
PDE1B Q01064 1/20 0.57
PMP22 Q01453 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE7A Q13946 1/20 0.57
PDE1C Q14123 1/20 0.57
PDE7B Q9NP56 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.53
FLT1 P17948 1/20 0.51

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
SCHEMBL19241032 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL29451393 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL3064070 0.81 ALDH1A1 (0.60) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL14686264 0.81 SMN1; SMN2 (0.52) ALDH1A1CYP3A4PDE2APDE5AALOX15
Hydrochloric Acid SCHEMBL3647552 0.80 ALDH1A1 (0.59) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL17526121 0.80 ALDH1A1 (0.59) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL28271882 0.79 ALDH1A1 (0.57) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL8848558 0.79 ALDH1A1 (0.70) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL7571531 0.78 SMN1; SMN2 (0.67) ALDH1A1L3MBTL1SMN1; SMN2TDP1TSHR
SCHEMBL9805845 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4PDE2APDE5AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR ALDH1A1 994/4885CYP3A4 3874/4885PDE2A 2233/4885

“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.