SCHEMBL3549604

SCHEMBL3549604

CS(=O)(=O)CC(=O)N1CC[N]CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
JAK3 P52333 1/20 0.33
ATM Q13315 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
NAMPT P43490 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL11241398 0.79 ALDH1A1 (0.49) ALDH1A1HSD17B10POLBSMN1; SMN2L3MBTL1
SCHEMBL12520053 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10POLBSMN1; SMN2L3MBTL1
SCHEMBL18016684 0.78 CYP1A2 (0.46) ALDH1A1POLBSMN1; SMN2NPSR1L3MBTL1
SCHEMBL15440675 0.76 CA2 (0.42) ALDH1A1HSD17B10POLBSMN1; SMN2TSHR
SCHEMBL14654286 0.76 L3MBTL1 (0.52) ALDH1A1HSD17B10POLBSMN1; SMN2L3MBTL1
SCHEMBL12767515 0.74 HSD11B1 (0.47) ALDH1A1POLBNPSR1L3MBTL1RAB9A
SCHEMBL5348 0.74 BLM (0.44) ALDH1A1L3MBTL1NPC1RAB9ATSHR
SCHEMBL18016176 0.73 ALDH1A1 (0.37) ALDH1A1HSD17B10POLBSMN1; SMN2NPSR1
SCHEMBL4577207 0.72 ALDH1A1 (0.40) ALDH1A1L3MBTL1JAK3ATMNPC1
SCHEMBL12436975 0.72 NPC1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1JAK3ATM

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 8 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 claimed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US claimed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP claimed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO claimed
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 ALDH1A1 320/4885HSD17B10 1154/4885POLB 315/4885

“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.