SCHEMBL2439961

SCHEMBL2439961

CS(=O)(=O)c1cc(OC(F)F)cc([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.40
KMT2A Q03164 4/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 3/20 0.37
GAA P10253 1/20 0.36
CYP19A1 P11511 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
POLB P06746 2/20 0.34
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL309870 0.81 PTGS2 (0.47) KMT2AHTTLMNAMEN1MAPT
SCHEMBL4086848 0.78 KMT2A (0.48) KMT2AHTTLMNAMEN1MAPT
SCHEMBL1171984 0.78 CYP19A1 (0.52) KMT2AHTTLMNAMEN1MAPT
SCHEMBL25409812 0.78 PTGS2 (0.44) KMT2AHTTLMNAMEN1MAPT
SCHEMBL16957929 0.78 TSHR (0.57) ALDH3A1KMT2AHTTLMNAMEN1
SCHEMBL2432024 0.77 MAPT (0.49) KMT2AHTTLMNAMEN1MAPT
SCHEMBL19950442 0.76 HSPB1 (0.41) KMT2AHTTLMNAMEN1MAPT
SCHEMBL29739327 0.76 HSPB1 (0.41) KMT2AHTTLMNAMEN1MAPT
SCHEMBL1494632 0.74 CHRNB4 (0.42) KMT2AHTTLMNAMEN1MAPT
SCHEMBL16957926 0.74 MEN1 (0.39) ALDH3A1KMT2AHTTLMNAMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 ALDH3A1 1196/4885KMT2A 592/4885HTT 4634/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 ALDH3A1 1566/4885KMT2A 643/4885HTT 4761/4885

“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.