SCHEMBL3554528

SCHEMBL3554528

CNC(=O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
MCHR1 Q99705 4/20 0.43
NPBWR1 P48145 3/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
NAMPT P43490 1/20 0.43
SYK P43405 1/20 0.42
KMT2A Q03164 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3549222 0.86 EPHX2 (0.50) MAPTALDH1A1MAPK1MCHR1MMP2
SCHEMBL5204927 0.86 EPHX2 (0.50) MAPTALDH1A1MAPK1MCHR1MMP2
SCHEMBL3885054 0.84 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MAPK1MCHR1
SCHEMBL3552399 0.83 MAPT (0.56) MAPTALDH1A1SMN1; SMN2MAPK1MCHR1
SCHEMBL3552397 0.83 MAPT (0.56) MAPTALDH1A1SMN1; SMN2MAPK1MCHR1
SCHEMBL9660476 0.83 MAPT (0.56) MAPTALDH1A1SMN1; SMN2MAPK1MCHR1
SCHEMBL30480375 0.82 MAPT (0.42) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL3552676 0.82 MAPT (0.50) MAPTALDH1A1MAPK1MCHR1NPBWR1
SCHEMBL3548134 0.81 SYK (0.47) SYK
SCHEMBL13723608 0.81 SYK (0.47) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI MAPT 3632/4885ALDH1A1 320/4885SMN1; SMN2 2427/4885

“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.