SCHEMBL947447

SCHEMBL947447

NS(=O)(=O)c1c([C]=O)ccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.36
CX3CR1 P49238 1/20 0.36
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA9 Q16790 5/20 0.33
CA12 O43570 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA5A P35218 3/20 0.33
CA7 P43166 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA3 P07451 1/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
VCAM1 P19320 1/20 0.33
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5353246 0.74 CA1 (0.48) CXCR2CX3CR1CA1CA2CA9
SCHEMBL5798575 0.72 CXCR2 (0.38) CXCR2CX3CR1CA1CA2CA9
SCHEMBL329657 0.72 MAPK1 (0.40) CYP3A4MAPK1
SCHEMBL9311176 0.71 CYP3A4 (0.31) CYP3A4MAPK1
SCHEMBL11714521 0.69 CA2 (0.53) CA1CA2CA9CA12CA4
SCHEMBL104540 0.69 CES1 (0.32) CYP3A4MAPK1
SCHEMBL103338 0.66
SCHEMBL6038911 0.64 CA1 (0.48) CA1CA2CA9CA12CA4
SCHEMBL103590 0.64 MAPK1 (0.30) MAPK1
SCHEMBL2251809 0.63 CXCR2 (0.46) CXCR2CX3CR1CA1CA2CA9

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 CXCR2 546/4885CX3CR1 1257/4885CA1 4672/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 CXCR2 546/4885CX3CR1 1257/4885CA1 4672/4885

“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.