SCHEMBL490155

SCHEMBL490155

NCCCCCCC(N)(N)CCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA6 P23280 4/20 0.47
CA5A P35218 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
CA5B Q9Y2D0 4/20 0.47
DNM1 Q05193 4/20 0.47
CA1 P00915 3/20 0.47
CA3 P07451 3/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
BLM P54132 1/20 0.47
NFKB1 P19838 1/20 0.41
F13A1 P00488 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX15 P16050 2/20 0.41
THPO P40225 2/20 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
SCHEMBL3502478 0.88 CA12 (0.40) CA12CA2CA4CA6CA5A
SCHEMBL28956919 0.88 NFKB1 (0.47) CA12CA2CA4CA6CA5A
SCHEMBL11529328 0.81 DNM1 (0.50) DNM1TSHRFDPSMEN1KMT2A
SCHEMBL11529701 0.81 DNM1 (0.50) DNM1TSHRFDPSMEN1KMT2A
SCHEMBL11532342 0.81 DNM1 (0.50) DNM1TSHRFDPSMEN1KMT2A
SCHEMBL11531388 0.81 DNM1 (0.50) DNM1TSHRFDPSMEN1KMT2A
SCHEMBL140976 0.81 NFKB1 (0.43) CA12CA2CA4CA6CA5A
SCHEMBL817593 0.77 DNM1 (0.47) CA12CA2CA4CA6CA5A
SCHEMBL27892374 0.76 DNM1 (0.57) DNM1TSHRFDPSMEN1KMT2A
SCHEMBL20425510 0.75 DNM1 (0.53) CA12CA2CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 CA12 3828/4885CA2 2408/4885CA4 2932/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CA12 3828/4885CA2 2408/4885CA4 2932/4885

“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.