SCHEMBL3548621

SCHEMBL3548621

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.32
RORC P51449 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.31
LTA4H P09960 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
EPHX2 P34913 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
SCHEMBL3315280 1.00 HPGD (0.36) HPGDALDH1A1KMT2AALOX15HSD17B10
SCHEMBL3549257 1.00 HPGD (0.36) HPGDALDH1A1KMT2AALOX15HSD17B10
SCHEMBL13359380 0.85 HPGD (0.41) HPGDALDH1A1KMT2AALOX15HSD17B10
SCHEMBL14159619 0.81 SMN1; SMN2 (0.43) HPGDALDH1A1KMT2AALOX15HSD17B10
SCHEMBL12539736 0.81 DPP4 (0.40) HPGDALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL187976 0.79 CHRNB2 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL15451943 0.78 CYP1A2 (0.46) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3312013 0.77 MEN1 (0.35) ALDH1A1KMT2AMEN1
SCHEMBL2904852 0.77 MEN1 (0.35) ALDH1A1KMT2AMEN1
SCHEMBL2910274 0.77 MEN1 (0.35) ALDH1A1KMT2AMEN1

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 HPGD 552/4885ALDH1A1 320/4885KMT2A 2406/4885

“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.