SCHEMBL1131052

SCHEMBL1131052

CN(C)C=NS(=O)(=O)c1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GPR35 Q9HC97 2/20 0.43
▸ HTR2A P28223 7/20 0.40
▸ HTR6 P50406 7/20 0.40
▸ HTR2C P28335 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ ERN1 O75460 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CSNK2A3 Q8NEV1 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL1131049 1.00 GAA (0.43) GAALMNAGPR35HTR2AHTR6
SCHEMBL1131174 0.82 ALDH1A1 (0.48) GAALMNAHTR2AHTR6HTR2C
SCHEMBL1131175 0.82 ALDH1A1 (0.48) GAALMNAHTR2AHTR6HTR2C
SCHEMBL4371976 0.73 GPR35 (0.56) GAAGPR35NPC1MAPTALDH1A1
SCHEMBL2413376 0.71 GPR35 (0.55) GAAGPR35NPC1MAPTALDH1A1
SCHEMBL5151374 0.70 POLB (0.46) GAALMNAGPR35MAPTALDH1A1
SCHEMBL5151379 0.70 POLB (0.46) GAALMNAGPR35MAPTALDH1A1
SCHEMBL14336274 0.70 POLB (0.46) GAALMNAGPR35MAPTALDH1A1
SCHEMBL12031443 0.69 F2 (0.56) GAALMNAMAPTALDH1A1F2
SCHEMBL29718699 0.69 F2 (0.56) GAALMNAMAPTALDH1A1F2

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 GAA 2353/4885LMNA 4871/4885GPR35 1525/4885
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors ZAP70, SYK, BTK GAA 2360/4885LMNA 4865/4885GPR35 1804/4885

“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.

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