SCHEMBL1131175

SCHEMBL1131175

COc1cccc([N+](=O)[O-])c1S(=O)(=O)N=CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HTR2A P28223 7/20 0.43
▸ HTR6 P50406 7/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ AR P10275 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL1131174 1.00 ALDH1A1 (0.48) ALDH1A1TDP1HTR2AHTR6L3MBTL1
SCHEMBL1131646 0.83 HTR2A (0.38) ALDH1A1HTR2AHTR6HTR2CLMNA
SCHEMBL1131648 0.83 HTR2A (0.38) ALDH1A1HTR2AHTR6HTR2CLMNA
SCHEMBL1131052 0.82 GAA (0.43) ALDH1A1TDP1HTR2AHTR6L3MBTL1
SCHEMBL1131049 0.82 GAA (0.43) ALDH1A1TDP1HTR2AHTR6L3MBTL1
SCHEMBL7398491 0.76 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1LMNAGAA
SCHEMBL1131161 0.75 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1LMNAGAA
SCHEMBL3913442 0.75 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1LMNAGAA
SCHEMBL1131530 0.75 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1LMNAGAA
SCHEMBL5151645 0.74 HTT (0.48) ALDH1A1TDP1L3MBTL1LMNAGAA

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 ALDH1A1 3634/4885TDP1 267/4885HTR2A 1577/4885
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors ZAP70, SYK, BTK ALDH1A1 3757/4885TDP1 239/4885HTR2A 1913/4885

“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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