SCHEMBL3550366

SCHEMBL3550366

COCCS(=O)(=O)N1CC[N]CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
SMO Q99835 3/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.36
CYP3A4 P08684 1/20 0.35
CCND1 P24385 5/20 0.34
CCNE1 P24864 5/20 0.34
CDK2 P24941 5/20 0.34
CDK6 Q00534 5/20 0.34
ALDH1A1 P00352 2/20 0.34
DHFR P00374 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL17039437 0.82 MAPT (0.42) MAPTSMOCNR2CNR1CYP3A4
SCHEMBL17039355 0.80 TSHR (0.43) MAPTSMOALDH1A1LMNA
SCHEMBL17039352 0.78 L3MBTL1 (0.45) MAPTSMOCNR2CNR1CYP3A4
SCHEMBL75770 0.78 KDM4E (0.45) MAPTALDH1A1LMNA
SCHEMBL25245730 0.77 MAPT (0.39) MAPTSMOCNR2CNR1CYP3A4
SCHEMBL17039356 0.77 ALDH1A1 (0.55) MAPTALDH1A1LMNAPIK3R1PIK3CA
SCHEMBL74236 0.77 POLB (0.39) MAPTALDH1A1LMNA
SCHEMBL13993544 0.76 MAPT (0.48) MAPTCNR2CNR1CYP3A4CCND1
SCHEMBL3549851 0.74 PIK3CD (0.32) CDK2PIK3R1PIK3CAKCNH2
SCHEMBL73678 0.74 NPC1 (0.38) MAPTALDH1A1LMNA

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 MAPT 3632/4885SMO 3930/4885CNR2 3044/4885

“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.