SCHEMBL4195076

SCHEMBL4195076

O=S(=O)(CCCN1CCOCC1)N1CC[CH]CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR4 Q13639 1/20 0.40
EPHX2 P34913 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IKBKB O14920 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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 0.90 MEN1 (0.47) KMT2AMEN1LMNAKEAP1SMN1; SMN2
SCHEMBL4354178 0.85 SMYD3 (0.41) SMN1; SMN2HTR4HRH3IKBKB
SCHEMBL4207692 0.85 SMYD3 (0.39) SMN1; SMN2HTR4HRH3IKBKB
SCHEMBL4354111 0.84 KMT2A (0.43) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL4202177 0.83 HRH3 (0.42) SMN1; SMN2HTR4HRH3IKBKB
SCHEMBL4195676 0.82 HTR4 (0.38) KMT2AMEN1HTR4ALDH1A1SIGMAR1
SCHEMBL960926 0.81 HTR4 (0.43) KMT2AMEN1LMNAKEAP1SMN1; SMN2
SCHEMBL4190804 0.81 ALDH1A1 (0.39) KMT2AMEN1LMNASMN1; SMN2HTR4
Hydrochloric Acid SCHEMBL477624 0.79 HTR4 (0.42) KMT2AMEN1LMNAKEAP1SMN1; SMN2
SCHEMBL5249800 0.77 EPHX2 (0.43) KMT2AMEN1LMNAKEAP1SMN1; SMN2

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 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.