SCHEMBL4197832

SCHEMBL4197832

CN1CCC(NS(=O)(=O)N2CC[CH]CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
KDM1A O60341 1/20 0.36
USP30 Q70CQ3 3/20 0.36
MCOLN2 Q8IZK6 1/20 0.35
MCOLN1 Q9GZU1 1/20 0.35
POLB P06746 2/20 0.35
FABP6 P51161 1/20 0.35
HTR6 P50406 2/20 0.33
NSD2 O96028 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
KMT2A Q03164 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
SCHEMBL4203198 0.82 ALDH1A1 (0.43) KDM1AUSP30FABP6NSD2HTR1A
SCHEMBL3309811 0.79 SMYD3 (0.36) SMYD3HTR2AHTR2CKDM1AUSP30
SCHEMBL15226092 0.75 CA1 (0.47) MCOLN2MCOLN1POLBKMT2A
SCHEMBL4193315 0.74 SMYD3 (0.39) SMYD3HTR2AHTR2CPOLBHTR6
SCHEMBL3310495 0.73 MC4R (0.58) POLBKMT2A
SCHEMBL799013 0.71 CA12 (0.39) HTR2APOLB
SCHEMBL18559454 0.71 CA12 (0.39) SMYD3HTR2AHTR2CKDM1AUSP30
SCHEMBL5245677 0.71 MCOLN2 (0.61) HTR2AHTR2CUSP30MCOLN2MCOLN1
Bicarbonate SCHEMBL15226056 0.71 KDM4E (0.50) MCOLN2MCOLN1KMT2A
SCHEMBL13621192 0.70 CA1 (0.56) SMYD3HTR2AHTR2CKDM1AUSP30

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 SMYD3 4052/4885HTR2A 4343/4885HTR2C 3425/4885

“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.