SCHEMBL4425839

SCHEMBL4425839

O=C(Nc1cnn(Cc2c(F)cccc2C(F)(F)F)c1)c1c(F)cccc1F

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.65
ORAI1 Q96D31 2/20 0.65
KDM4E B2RXH2 2/20 0.50
SCD5 Q86SK9 8/20 0.48
KLKB1 P03952 2/20 0.47
SCD O00767 3/20 0.46
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
JAK3 P52333 3/20 0.45
TYK2 P29597 1/20 0.45
ORAI3 Q9BRQ5 1/20 0.45
TAS2R8 Q9NYW2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15163844 0.89 STIM1 (0.54) STIM1ORAI1KDM4ESCD5KLKB1
SCHEMBL4423293 0.88 SCD5 (0.59) STIM1ORAI1SCD5SCDORAI3
SCHEMBL15163819 0.84 KDM4E (0.54) KDM4ESCD5SCDTAS2R8SMN1; SMN2
SCHEMBL4428896 0.83 SCD5 (0.64) STIM1ORAI1SCD5SCDORAI3
SCHEMBL15152902 0.81 STIM1 (0.46) STIM1ORAI1KDM4ESCD5KLKB1
SCHEMBL715052 0.79 STIM1 (1.00) STIM1ORAI1KLKB1ORAI3MEN1
SCHEMBL30096538 0.79 STIM1 (1.00) STIM1ORAI1KLKB1ORAI3MEN1
SCHEMBL2720956 0.77 STIM1 (0.50) STIM1ORAI1KDM4EKLKB1JAK2
SCHEMBL4434159 0.77 SCD5 (0.50) KDM4ESCD5SCDALDH1A1MAPT
SCHEMBL4434160 0.76 SCD5 (0.61) KDM4ESCD5SCDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US claimed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US claimed
EP-2630126-B1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LTD (GB) 2015-01-07 EP claimed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US claimed
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 US claimed
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US disclosed
US-9156791-B2 Pyrazole compounds acting against allergic, immune and inflammatory conditions GLAXO GROUP LIMITED (GB) 2015-10-13 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
EP-2630126-B1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LTD (GB) 2015-01-07 EP disclosed
EP-2630126-B1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LTD (GB) 2015-01-07 EP disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US disclosed
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
US-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions GLAXO GROUP LIMITED (GB) 2013-08-08 US disclosed
WO-2012052459-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed
WO-2012052458-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, IMMUNE AND INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2012-04-26 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-20130203705-A1 Pyrazole Compounds Acting Against Allergic, Immune and Inflammatory Conditions NLRP3, IL33, IL5 STIM1 1530/4885ORAI1 2085/4885KDM4E 2340/4885
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 STIM1 1629/4885ORAI1 2910/4885KDM4E 2143/4885

“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.