SCHEMBL4196387

SCHEMBL4196387

O=S(=O)(CCNCC1CC1)N1CC[CH]CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
SAT1 P21673 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.31
SMO Q99835 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
SCHEMBL4207799 0.91 SMYD3 (0.39) KDM4ECYP1A2CYP2D6CYP2C19MAPT
SCHEMBL4508649 0.85 SMYD3 (0.38) SAT1ALOX15
SCHEMBL4505046 0.85 SMYD3 (0.40) SAT1ALOX15EPHX2
SCHEMBL4203189 0.73 MAPT (0.43) KDM4EMAPTALDH1A1LMNA
SCHEMBL4195723 0.72 IKBKB (0.37) KDM4EMAPTALDH1A1LMNAHTT
SCHEMBL4190773 0.71 KDM4E (0.34) KDM4ECYP1A2CYP2D6CYP2C19ALOX15
SCHEMBL17557668 0.71 SMO (0.33) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL4204822 0.70 IKBKB (0.42) KDM4EMEN1KMT2AALDH1A1EPHX2
SCHEMBL4503778 0.70 IKBKB (0.40) KDM4EALOX15KMT2AALDH1A1EPHX2
SCHEMBL5484340 0.69 SAT1 (0.42) CYP2D6CYP2C19SAT1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-2032559-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-11 EP disclosed
WO-2007138268-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20090275567-A1 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION CCNI, MKI67, CDK2 KDM4E 1663/4885CYP1A2 1852/4885CYP2D6 1725/4885

“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.