SCHEMBL3550415

SCHEMBL3550415

O=C([C@H]1CCCO1)N1CC[N]CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
POLB P06746 2/20 0.55
HTT P42858 1/20 0.51
FASN P49327 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1602135 1.00 RECQL (0.56) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL3122976 1.00 RECQL (0.56) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL12489672 0.85 RECQL (0.63) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL28312550 0.85 RECQL (0.63) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL11969437 0.83 RECQL (0.61) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1372881 0.80 RECQL (0.62) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL28313549 0.79 RECQL (0.57) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL20178173 0.79 RECQL (0.57) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL5423821 0.79 RECQL (0.56) RECQLALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1021697 0.79 RECQL (0.56) RECQLALDH1A1KDM4ETSHRHSD17B10

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 RECQL 1896/4885ALDH1A1 320/4885KDM4E 962/4885

“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.