SCHEMBL4201719

SCHEMBL4201719

O=S(=O)(CCN1CCOCC1)N1CC[CH]CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.37
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
IKBKB O14920 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CYP2C9 P11712 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4354111 0.94 KMT2A (0.43) MEN1KMT2ALMNAALDH1A1GLA
SCHEMBL4195076 0.90 KMT2A (0.42) MEN1KMT2ALMNAALDH1A1IKBKB
SCHEMBL4194787 0.84 PARP1 (0.39) KMT2ASMN1; SMN2MAPT
SCHEMBL4203206 0.84 PARP1 (0.36) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL4205217 0.82 PARP1 (0.41) KMT2AALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL4357843 0.81 ALOX15 (0.33) MEN1KMT2ALMNAALDH1A1IKBKB
SCHEMBL4199475 0.81 L3MBTL1 (0.38) PIK3CDPIK3R1PIK3CAPIK3CBCA1
SCHEMBL4196394 0.79 PIK3CD (0.34) PIK3CDPIK3R1PIK3CAPIK3CBCA2
SCHEMBL4207922 0.77 CARM1 (0.40) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL13154881 0.77 ALDH1A1 (0.47) MEN1KMT2ALMNAALDH1A1GLA

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 MEN1 1172/4885KMT2A 1807/4885LMNA 2945/4885

“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.