SCHEMBL4024323

SCHEMBL4024323

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 1/20 0.39
MAPK1 P28482 1/20 0.37
VCAM1 P19320 1/20 0.36
RORC P51449 1/20 0.36
CASP3 P42574 1/20 0.36
NR1I2 O75469 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL6103289 0.80 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2CSLC6A4MAPK1
SCHEMBL6596731 0.70 HTR2A (0.45) SIGMAR1HTR2AHTR2CSLC6A4F2
SCHEMBL5108292 0.69 NPSR1 (0.42) SIGMAR1HTR2AHTR2CSLC6A4MAPK1
SCHEMBL4780960 0.68 MAPK1 (0.43) MAPK1RORCNR1I2ALDH1A1LMNA
SCHEMBL14376251 0.68 CASP3 (0.51) HTR2AHTR2CMAPK1RORCCASP3
SCHEMBL6626032 0.67 HTR2A (0.35) SIGMAR1HTR2AHTR2CSLC6A4CA1
SCHEMBL3821934 0.66 VCAM1 (0.54) MAPK1VCAM1NPSR1ALDH1A1KDM4E
SCHEMBL28808612 0.65 CA9 (0.62) HTR2AHTR2CSLC6A4VCAM1CA1
SCHEMBL3153575 0.65 VCAM1 (0.52) MAPK1VCAM1NPSR1ALDH1A1KDM4E
SCHEMBL17230532 0.65 BMP1 (0.55) VCAM1NPSR1ALDH1A1LMNANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-7442697-B2 4-imidazolyl substituted pyrimidine derivatives with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity MOTOROLA MOBILITY LLC 2006-04-06 US disclosed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1490354-A1 4-IMIDAZOLYL SUBSTITUTED PYRIMIDINE DERIVATIVES WITH CDK INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-29 EP disclosed
EP-1485375-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003076434-A1 4- IMIDAZOLYL SUBSTUITED PYRIMIDINE DERIVATIVES WITH CDK INHIBITIORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-18 WO disclosed
WO-2003076435-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 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 (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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 SIGMAR1 3181/4885HTR2A 3711/4885HTR2C 3471/4885
US-20060074096-A1 4-Imidazolyl substituted pyrimidine derivatives with cdk inhibitory activity CCNI, CDK3, CDK4 SIGMAR1 4222/4885HTR2A 4320/4885HTR2C 3501/4885

“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.