SCHEMBL4978261

SCHEMBL4978261

Cn1c(NC2CCCCC2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.56
ALDH1A1 P00352 7/20 0.55
RIPK1 Q13546 1/20 0.54
KMT2A Q03164 6/20 0.54
LMNA P02545 5/20 0.54
MEN1 O00255 4/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
NPSR1 Q6W5P4 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL209281 0.79 ALDH1A1 (0.54) PKMALDH1A1KMT2ALMNAMEN1
SCHEMBL4977099 0.78 ALDH1A1 (0.54) PKMALDH1A1KMT2ALMNAMEN1
SCHEMBL14263330 0.78 KDM4E (0.51) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL25598188 0.77 ALDH1A1 (0.66) PKMALDH1A1KMT2ALMNAMEN1
SCHEMBL4981850 0.76 ALDH1A1 (0.51) PKMALDH1A1KMT2ALMNAMEN1
SCHEMBL3566734 0.76 ALDH1A1 (0.54) PKMALDH1A1KMT2ALMNAMEN1
SCHEMBL5318291 0.75 L3MBTL1 (0.54) RAF1BRAFGAAL3MBTL1
SCHEMBL4978556 0.74 ALDH1A1 (0.55) PKMALDH1A1KMT2ALMNAMEN1
SCHEMBL4976756 0.73 HDAC6 (0.57) PKMALDH1A1RIPK1KMT2ALMNA
SCHEMBL588563 0.73 RAB9A (0.62) PKMALDH1A1KMT2ALMNAMEN1

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
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 PKM 1616/4885ALDH1A1 994/4885RIPK1 2052/4885

“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.