SCHEMBL4354111

SCHEMBL4354111

O=S(=O)(CCN1CCCOCC1)N1CC[CH]CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.37
CYP2C9 P11712 1/20 0.36
PIK3CD O00329 3/20 0.35
PIK3R1 P27986 3/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CB P42338 3/20 0.35
PARP1 P09874 2/20 0.34
IKBKB O14920 1/20 0.34
MAPT P10636 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4201719 0.94 MEN1 (0.47) KMT2AMEN1LMNAALDH1A1GLA
SCHEMBL4203206 0.85 PARP1 (0.36) KMT2AMEN1LMNAPARP1MAPT
SCHEMBL4194787 0.85 PARP1 (0.39) KMT2APARP1MAPT
SCHEMBL4195076 0.84 KMT2A (0.42) KMT2AMEN1LMNAALDH1A1PIK3CD
SCHEMBL4205217 0.84 PARP1 (0.41) KMT2AALDH1A1PARP1MAPT
SCHEMBL4357843 0.76 ALOX15 (0.33) KMT2AMEN1LMNAALDH1A1PARP1
SCHEMBL4347961 0.76 LMNA (0.33) LMNAPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL4354178 0.76 SMYD3 (0.41) IKBKB
SCHEMBL4207692 0.76 SMYD3 (0.39) IKBKB
SCHEMBL4199475 0.76 L3MBTL1 (0.38) PIK3CDPIK3R1PIK3CAPIK3CBMAPT

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 KMT2A 1807/4885MEN1 1172/4885LMNA 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.