SCHEMBL4428896

SCHEMBL4428896

O=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1c(F)cccc1F

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 17/20 0.64
SCD O00767 8/20 0.52
STIM1 Q13586 1/20 0.48
ORAI1 Q96D31 1/20 0.48
ORAI3 Q9BRQ5 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C8 P10632 1/20 0.46
CYP2B6 P20813 1/20 0.46

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
SCHEMBL4423293 0.89 SCD5 (0.59) SCD5SCDSTIM1ORAI1ORAI3
SCHEMBL4425839 0.83 STIM1 (0.65) SCD5SCDSTIM1ORAI1ORAI3
SCHEMBL759769 0.80 STIM1 (0.73) SCD5STIM1ORAI1ORAI3SMN1; SMN2
SCHEMBL4434159 0.80 SCD5 (0.50) SCD5SCDSMN1; SMN2
SCHEMBL15190572 0.79 SCD5 (0.61) SCD5SCDSMN1; SMN2
SCHEMBL21523680 0.78 SCD5 (1.00) SCD5SCDSMN1; SMN2CYP2C8CYP2B6
SCHEMBL4423566 0.78 SCD5 (0.55) SCD5SCDSMN1; SMN2
SCHEMBL21535832 0.78 SCD5 (0.78) SCD5SCDSMN1; SMN2
SCHEMBL14887748 0.77 ITGB1 (0.48) SMN1; SMN2
SCHEMBL2724122 0.77 MAPT (0.64) SCD5SCDSMN1; SMN2

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
US-9149462-B2 Pyrazole compounds acting against allergic, inflammatory and immune disorders GLAXO GROUP LIMITED (GB) 2015-10-06 US claimed
US-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS GLAXO GROUP LIMITED (GB) 2013-08-22 US claimed
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
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
WO-2012052459-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS 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 (1 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-20130217658-A1 PYRAZOLE COMPOUNDS ACTING AGAINST ALLERGIC, INFLAMMATORY AND IMMUNE DISORDERS NLRP3, IL33, IL5 SCD5 2471/4885SCD 2487/4885STIM1 1629/4885

“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.