SCHEMBL5259079

SCHEMBL5259079

COc1ccc(Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.59
IKBKB O14920 4/20 0.58
BTK Q06187 1/20 0.56
RORC P51449 1/20 0.54
CDK2 P24941 3/20 0.53
CCNT1 O60563 1/20 0.53
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK9 P50750 1/20 0.53
CDK5 Q00535 1/20 0.53
CDK5R1 Q15078 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
CA12 O43570 3/20 0.52
CCNA2 P20248 1/20 0.48

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
SCHEMBL24477605 0.88 LRRK2 (0.60) AURKAIKBKBCDK2CCNT1CCNB2
SCHEMBL1633446 0.78 IKBKB (0.56) IKBKBRORCCDK2CA1CA2
SCHEMBL1633099 0.78 IKBKB (0.65) IKBKBCDK2CCNT1CDK1CCNB1
SCHEMBL3838873 0.78 CA1 (0.62) IKBKBCDK2CA1CA2CA9
SCHEMBL24477607 0.77 CA2 (0.59) IKBKBCDK2CCNT1CDK1CCNB1
SCHEMBL24477734 0.77 CDK2 (0.60) IKBKBCDK2CCNT1CDK1CCNB1
SCHEMBL1805385 0.76 AURKA (0.55) AURKAIKBKBCDK2CDK1CDK5
SCHEMBL28747203 0.75 CA1 (0.67) IKBKBCA1CA2CA9CA12
SCHEMBL1633690 0.74 IKBKB (0.57) IKBKBBTKRORCCDK2CDK1
SCHEMBL27799095 0.74 MAPT (0.59) AURKACDK2CDK1CDK9CDK5

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-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP claimed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US claimed
JP-2003525277-A 2003-08-26 JP claimed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US claimed
EP-1272477-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2003-01-08 EP claimed
WO-2001064654-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-09-07 WO claimed
EP-1272477-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-05-09 EP disclosed
US-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US 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-20030149064-A1 Pyrimidine compounds CDK2, CCNI, CCNY AURKA 72/4885IKBKB 278/4885BTK 386/4885

“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.