SCHEMBL4195054

SCHEMBL4195054

O=S(=O)(CCN1CC[C@@H](F)C1)N1CC[CH]CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
MCHR1 Q99705 1/20 0.33
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4199423 1.00 L3MBTL1 (0.34) L3MBTL1MCHR1HTR7KDM4ECYP1A2
SCHEMBL4357843 0.90 ALOX15 (0.33) MCHR1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL4207922 0.79 CARM1 (0.40) HTR7KDM4E
SCHEMBL4194787 0.76 PARP1 (0.39)
SCHEMBL4203206 0.76 PARP1 (0.36) KDM4E
SCHEMBL4193093 0.76 LTA4H (0.35) L3MBTL1
SCHEMBL4207698 0.76 L3MBTL1 (0.46) L3MBTL1HTR7
SCHEMBL4205217 0.75 PARP1 (0.41) L3MBTL1
SCHEMBL4207533 0.75 HTR4 (0.41) L3MBTL1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL4204997 0.75 ALDH1A1 (0.52) L3MBTL1KDM4E

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 L3MBTL1 3228/4885MCHR1 4663/4885HTR7 3381/4885

“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.