SCHEMBL4420874

SCHEMBL4420874

O=C(Nc1cnn(Cc2ccccc2Cc2ccccc2)c1)c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 11/20 0.55
SCD O00767 11/20 0.55
ITK Q08881 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 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
SCHEMBL4434160 0.86 SCD5 (0.61) SCD5SCDALDH1A1HPGDMAPT
SCHEMBL4423291 0.85 SCD5 (0.51) SCD5SCDITKALDH1A1MAPT
SCHEMBL4429422 0.84 ALDH1A1 (0.54) SCD5SCDALDH1A1HPGDMAPT
SCHEMBL4423293 0.83 SCD5 (0.59) SCD5SCDHPGD
SCHEMBL4434304 0.82 SCD5 (0.52) SCD5SCDALDH1A1HPGDMAPT
SCHEMBL15190572 0.82 SCD5 (0.61) SCD5SCDALDH1A1HPGDMAPT
SCHEMBL4434159 0.80 SCD5 (0.50) SCD5SCDALDH1A1HPGDMAPT
SCHEMBL759214 0.79 STIM1 (0.59) ITKALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15163819 0.79 KDM4E (0.54) SCD5SCDHPGDSMN1; SMN2
SCHEMBL2733173 0.79 SCD5 (0.49) SCD5SCDALDH1A1HPGDMAPT

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 2487/4885ITK 1967/4885

“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.