SCHEMBL4980076

SCHEMBL4980076

Cn1c(=S)[nH]c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.63
SIRT1 Q96EB6 1/20 0.63
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
MPI P34949 1/20 0.62
APOBEC3G Q9HC16 1/20 0.62
PSMB8 P28062 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MAPT P10636 4/20 0.48
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP19A1 P11511 1/20 0.43
PGR P06401 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL2718464 0.83 PGR (0.60) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL29634290 0.83 PGR (0.60) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL31439101 0.80 GRIA1 (0.57) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL9395642 0.80 GRIA1 (0.57) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL31439102 0.80 GRIA1 (0.57) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL16007675 0.78 CA12 (0.58) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL9542267 0.74 GRIA1 (0.49) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL25403172 0.73 PGR (0.63) SIRT2SIRT1MEN1ALDH1A1KMT2A
SCHEMBL25079381 0.71 PSMB8 (0.56) MEN1ALDH1A1KMT2APSMB8NPSR1
SCHEMBL155568 0.71 MAPT (0.83) MEN1ALDH1A1KMT2ANPSR1MAPT

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-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
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 SIRT2 184/4885SIRT1 797/4885MEN1 1400/4885

“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.