SCHEMBL4422650

SCHEMBL4422650

COc1ccc(Cl)cc1Cn1cc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
SMN1; SMN2 Q16637 1/20 0.57
TP53 P04637 2/20 0.53
SCD5 Q86SK9 4/20 0.52
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.49
HPGD P15428 2/20 0.49
PTGER1 P34995 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SCD O00767 3/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4418952 0.88 KDM4E (0.50) KDM4ESMN1; SMN2TP53SCD5MAPT
SCHEMBL15190572 0.87 SCD5 (0.61) KDM4ESMN1; SMN2SCD5MAPTHPGD
SCHEMBL2734042 0.86 PTGER1 (0.64) KDM4ESCD5PTGER1SCDALDH1A1
SCHEMBL4423566 0.86 SCD5 (0.55) KDM4ESMN1; SMN2TP53SCD5MAPT
SCHEMBL2724122 0.85 MAPT (0.64) KDM4ESMN1; SMN2TP53SCD5MAPT
SCHEMBL2732886 0.82 PTGER1 (0.59) KDM4ESMN1; SMN2SCD5PTGER1SCD
SCHEMBL758016 0.82 PTGER1 (0.57) SMN1; SMN2MAPTNPSR1HPGDPTGER1
SCHEMBL4427183 0.81 MAPT (0.62) KDM4ESMN1; SMN2TP53SCD5MAPT
SCHEMBL2731497 0.81 PTGER1 (0.55) KDM4ESMN1; SMN2SCD5MAPTMEN1
SCHEMBL4420388 0.79 MAPT (0.59) KDM4ESMN1; SMN2TP53SCD5MAPT

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 KDM4E 2143/4885SMN1; SMN2 4836/4885TP53 1357/4885

“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.