SCHEMBL3551116

SCHEMBL3551116

CC(=O)N1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2)C[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
ANPEP P15144 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 2/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
HSD11B1 P28845 2/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL20874012 0.89 MAPT (0.41) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL18186417 0.82 MAPT (0.55) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL18186193 0.82 MAPT (0.55) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL18186290 0.82 MAPT (0.55) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL18186194 0.82 MAPT (0.55) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL12424153 0.80 SIRT6 (0.47) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL23444413 0.80 MAPT (0.55) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL23524643 0.80 MAPT (0.55) ALDH1A1HPGDMAPK1MAPTKMT2A
SCHEMBL3316503 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL3316500 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1KDM4E

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 MMP2 199/4885ANPEP 421/4885ALDH1A1 320/4885

“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.