SCHEMBL4978620

SCHEMBL4978620

COc1ccc(N(C(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])ccc3n2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 8/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
GAA P10253 2/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT1 P42224 1/20 0.37
HTT P42858 1/20 0.37
NPBWR1 P48145 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL4978503 0.90 KMT2A (0.42) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4978681 0.90 MAPT (0.41) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4976760 0.89 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL5226510 0.87 MAPT (0.54) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4982539 0.84 ALDH1A1 (0.42) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL14263307 0.79 KMT2A (0.38) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4978572 0.76 MAPK14 (0.37) SMN1; SMN2ALDH1A1KDM4ECYP2D6NPSR1
SCHEMBL5229049 0.76 KMT2A (0.44) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL5229039 0.76 KMT2A (0.44) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL4980603 0.76 BRAF (0.39) MAPTLMNASMN1; SMN2KMT2AMEN1

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 5 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-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 MAPT 2663/4885LMNA 3917/4885SMN1; SMN2 3839/4885

“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.