SCHEMBL4196510

SCHEMBL4196510

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP11B1 P15538 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL4200660 0.89
SCHEMBL16235813 0.81 EPHX2 (0.38) EPHX2CYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL1770819 0.81 EPHX2 (0.38) EPHX2CYP17A1CYP21A2CYP11B1ALDH1A1
SCHEMBL4196412 0.80 CA2 (0.33) LMNA
SCHEMBL1667599 0.76 ALDH1A1 (0.49) EPHX2ALDH1A1LMNAKDM4E
SCHEMBL1667133 0.76 L3MBTL1 (0.45) EPHX2ALDH1A1CTSSCTSKLMNA
SCHEMBL3450321 0.76 EPHX2 (0.33) EPHX2CYP17A1CYP21A2CYP11B1CTSS
SCHEMBL4207692 0.76 SMYD3 (0.39)
SCHEMBL4354178 0.76 SMYD3 (0.41)
SCHEMBL4199003 0.76 BRD4 (0.36) ALDH1A1LMNA

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 5 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
CN-101500569-A HIF hydroxylase inhibitors for treatment of anemia of cancer FIBROGEN INC (US) 2009-08-05 CN disclosed
CN-101490041-A 2-heterocycloamino-4-imidazolylpyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB (SE) 2009-07-22 CN 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 EPHX2 2424/4885CYP17A1 2448/4885CYP21A2 1875/4885

“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.