SCHEMBL4422835

SCHEMBL4422835

O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPK1 P28482 1/20 0.63
MAPT P10636 5/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.56
TP53 P04637 2/20 0.54
SCD5 Q86SK9 4/20 0.53

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
SCHEMBL2724122 0.88 MAPT (0.64) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4423175 0.88 KMT2A (0.61) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4427183 0.87 MAPT (0.62) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4420392 0.84 KDM4E (0.64) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4420388 0.84 MAPT (0.59) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4426830 0.83 MAPT (0.67) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4423566 0.81 SCD5 (0.55) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL4423177 0.80 MAPT (0.64) KMT2AMEN1KDM4EMAPK1MAPT
SCHEMBL695987 0.80 LMNA (0.56) KMT2AMEN1MAPK1MAPTNPSR1
SCHEMBL4420987 0.78 KDM4E (0.67) KMT2AMEN1KDM4EMAPK1MAPT

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 KMT2A 2158/4885MEN1 4729/4885KDM4E 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.