SCHEMBL1131679

SCHEMBL1131679

NS(=O)(=O)c1c(OCC(F)(F)F)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HSPB1 P04792 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MPI P34949 1/20 0.35
▸ PHOSPHO1 Q8TCT1 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL15714273 0.82 NPC1 (0.50) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL1130917 0.82 TDP1 (0.39) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL28504880 0.81 NPC1 (0.47) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL4185071 0.79 RAB9A (0.66) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL31194220 0.79 RAB9A (0.66) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL1131561 0.79 ALDH1A1 (0.46) ALDH1A1HTTKDM4EADRA1DADRA1A
SCHEMBL11029941 0.79 NPC1 (0.51) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL1131646 0.78 HTR2A (0.38) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL1131648 0.78 HTR2A (0.38) RECQLNPC1RAB9APOLBALDH1A1
SCHEMBL31172602 0.77 ADRA1D (0.48) ALDH1A1KDM4EADRA1DADRA1AADRA1B

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 13 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
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
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-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-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 RECQL 841/4885NPC1 4702/4885RAB9A 1238/4885
US-20060247262-A1 2,4 Di (hetero) -arylamino-pyrimidine derivatives as ZAP-70 and/or syk inhibitors ZAP70, SYK, BTK RECQL 891/4885NPC1 4640/4885RAB9A 1210/4885

“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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