SCHEMBL6103289

SCHEMBL6103289

COCCN(C)S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
CASP3 P42574 1/20 0.53
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 1/20 0.44
CDK2 P24941 2/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GSTO1 P78417 1/20 0.40
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPK1 P28482 1/20 0.39
VCAM1 P19320 1/20 0.39
NR1I2 O75469 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
SCHEMBL10090152 0.85 CASP3 (0.58) CASP3CDK2ALDH1A1LMNAHTT
SCHEMBL4768851 0.83 CASP3 (0.53) CASP3CDK2ALDH1A1LMNAHTT
SCHEMBL3917930 0.83 SIGMAR1 (0.55) SIGMAR1CASP3CDK2ALDH1A1LMNA
SCHEMBL19001342 0.83 MAPK1 (0.55) CASP3ALDH1A1LMNAHTTPDE4D
SCHEMBL15196336 0.81 SIGMAR1 (0.59) SIGMAR1HTR2AHTR2CSLC6A4LMNA
SCHEMBL20323782 0.81 CASP3 (0.51) SIGMAR1CASP3CDK2ALDH1A1LMNA
SCHEMBL14376251 0.81 CASP3 (0.51) CASP3HTR2AHTR2CCDK2ALDH1A1
SCHEMBL14349179 0.81 CASP3 (0.51) CASP3HTR2AHTR2CCDK2ALDH1A1
SCHEMBL4024323 0.80 SIGMAR1 (0.39) SIGMAR1CASP3HTR2AHTR2CSLC6A4
SCHEMBL3054683 0.80 CA12 (0.55) CASP3ALDH1A1LMNAHTTMAPK1

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
CN-1269813-C Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (SE) 2006-08-16 CN disclosed
US-20060004033-A1 Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation ASTRAZENECA AB 2006-01-05 US disclosed
US-6969714-B2 Imidazolo-5-YL-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation ASTRAZENECA AB (SE) 2005-11-29 US disclosed
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration ASTRAZENECA AB (SE) 2004-01-22 US disclosed
CN-1452620-A Imidazolo-5-yl-2-anilino-pyrimidines as agents for inhibition of cell proliferation ASTRAZENECA AB (CH) 2003-10-29 CN 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 (2 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-20060004033-A1 Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation MKI67, CCNI, CCNT1 SIGMAR1 3611/4885CASP3 88/4885HTR2A 3702/4885
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration CCNI, TYMP, MKI67 SIGMAR1 3630/4885CASP3 92/4885HTR2A 3867/4885

“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.