SCHEMBL4984328

SCHEMBL4984328

Cn1c(NCc2cccc(F)c2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.56
POLB P06746 1/20 0.54
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 7/20 0.46
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL4979982 0.88 POLB (0.52) GFERPOLBMEN1KMT2AALDH1A1
SCHEMBL4981860 0.88 ALDH1A1 (0.54) POLBALOX15MAPK1MEN1KMT2A
SCHEMBL4983127 0.87 EGFR (0.48) POLBALOX15MAPK1MEN1KMT2A
SCHEMBL4975099 0.82 RAB9A (0.60) GFERMEN1KMT2AALDH1A1GAA
SCHEMBL4981282 0.81 GAA (0.65) GFERPOLBMAPK1MEN1KMT2A
SCHEMBL4980463 0.81 NPC1 (0.60) GFERMEN1KMT2AALDH1A1GAA
SCHEMBL14263411 0.81 MAPK1 (0.53) POLBALOX15MAPK1KMT2AALDH1A1
SCHEMBL4982448 0.79 MAPT (0.57) MAPK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4980845 0.79 HDAC6 (0.61) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4980895 0.76 MEN1 (0.53) MAPK1MEN1KMT2AGAAL3MBTL1

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 6 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
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 GFER 4275/4885POLB 420/4885ALOX15 3154/4885

“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.