SCHEMBL4194739

SCHEMBL4194739

O=S(=O)(NCCN1CCOCC1)N1CC[CH]CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 4/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4200851 0.85 SIGMAR1 (0.45) ALDH1A1MAPK1SMN1; SMN2TSHRL3MBTL1
SCHEMBL4195788 0.83 HDAC2 (0.36) USP2ALDH1A1MAPK1
SCHEMBL4199008 0.76 L3MBTL1 (0.48) SMN1; SMN2KMT2AL3MBTL1
SCHEMBL4201719 0.76 MEN1 (0.47) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4202733 0.75 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL4195076 0.73 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27468424 0.73 ALDH1A1 (0.50) USP2ALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL1861919 0.73 ALDH1A1 (0.52) USP2ALDH1A1PKMMAPK1SMN1; SMN2
SCHEMBL2103124 0.73 ALDH1A1 (0.49) USP2ALDH1A1PKMMAPK1SMN1; SMN2
SCHEMBL7262743 0.73 PKM (0.49) USP2ALDH1A1PKMMAPK1

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 USP2 3279/4885ALDH1A1 537/4885PKM 1906/4885

“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.