SCHEMBL1132082

SCHEMBL1132082

CC(C)(C)C(=O)NC1=COC(c2ccc(S(N)(=O)=O)cc2)O1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.55
CA1 P00915 12/20 0.55
CA12 O43570 7/20 0.55
CA9 Q16790 7/20 0.55
CA7 P43166 5/20 0.55
CA14 Q9ULX7 5/20 0.55
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
KCNJ8 Q15842 1/20 0.40
PDK4 Q16654 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN7 P35236 1/20 0.36

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
SCHEMBL10603454 0.72 CA1 (1.00) CA2CA1CA12CA9CA7
SCHEMBL30938147 0.64 CA1 (0.77) CA2CA1CA12CA9CA7
SCHEMBL28585561 0.62 CA2 (0.69) CA2CA1CA12CA9CA7
SCHEMBL8222946 0.62 CA1 (1.00) CA2CA1CA12CA9CA7
SCHEMBL29234757 0.62 CA2 (0.59) CA2CA1CA12CA9CA7
SCHEMBL19948482 0.62 CA1 (0.72) CA2CA1CA12CA9CA7
SCHEMBL13263996 0.61 CA1 (0.73) CA2CA1CA12CA9CA7
SCHEMBL17479947 0.60 CA2 (0.59) CA2CA1CA12CA9CA7
SCHEMBL21962388 0.59 CA2 (0.59) CA2CA1CA12CA9CA7
SCHEMBL20851320 0.59 CA1 (0.71) CA2CA1CA12CA9CA7

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-2266977-B1 2,4-di[(hetero)arylamino]-pyrimidine derivatives as zap-70 and/or syk inhibitors NOVARTIS AG (CH) 2014-05-14 EP disclosed
US-8283356-B2 2,4- Di(hetero)-arylamino-pyrimidine derivatives as ZAP-70 and/or SYK inhibitors NOVARTIS AG (CH) 2012-10-09 US disclosed
EP-1664035-B1 2,4 DI(HETERO)-ARYLAMINO-PYRIMIDINE DERIVATIVES AS ZAP-70 AND/OR SYK INHIBITORS NOVARTIS AG (CH) 2011-02-16 EP disclosed
EP-2266977-A1 2,4-di[(hetero)arylamino]-pyrimidine derivatives as zap-70 and/or syk inhibitors Novartis AG (CH) 2010-12-29 EP disclosed
US-20100152182-A1 2,4- Di(hetero)-arylamino-pyrimidine Derivatives as ZAP-70 and/or SYK inhibitors NOVARTIS AG (CH) 2010-06-17 US disclosed
US-7671063-B2 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors NOVARTIS AG (CH) 2010-03-02 US disclosed
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors NOVARTIS AG (CH) 2006-11-02 US disclosed
EP-1664035-A1 2,4 DI (HETERO) -ARYLAMINO-PYRIMIDINE DERIVATIVES AS ZAP-70 AND/OR SYK INHIBITORS Novartis AG (CH) 2006-06-07 EP disclosed
WO-2005026158-A1 2,4 DI (HETERO) -ARYLAMINO-PYRIMIDINE DERIVATIVES AS ZAP-70 AND/OR SYK INHIBITORS NOVARTIS AG (CH) 2005-03-24 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-20100152182-A1 2,4- Di(hetero)-arylamino-pyrimidine Derivatives as ZAP-70 and/or SYK inhibitors ZAP70, SYK, BTK CA2 4019/4885CA1 4830/4885CA12 4882/4885
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors ZAP70, SYK, BTK CA2 4043/4885CA1 4814/4885CA12 4880/4885

“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.