SCHEMBL3825832

SCHEMBL3825832

NNc1nnc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
GAA P10253 6/20 0.61
MGAM O43451 3/20 0.61
SI P14410 3/20 0.61
MGAM2 Q2M2H8 3/20 0.61
NOTUM Q6P988 1/20 0.61
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
HTT P42858 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49

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
SCHEMBL3829149 0.81 SMN1; SMN2 (0.51) KDM4EGAAHDAC1HDAC2HTT
SCHEMBL3334264 0.80 CA1 (0.61) KDM4EHDAC1HDAC6HTTMEN1
SCHEMBL8707903 0.77 KDM4E (0.67) KDM4EGAAMGAMSIMGAM2
SCHEMBL16870304 0.77 KDM4E (0.51) KDM4EGAAMGAMSIMGAM2
SCHEMBL22761303 0.77 KDM4E (0.73) KDM4EHDAC1HDAC2HTTMEN1
SCHEMBL20214047 0.77 HDAC1 (0.51) KDM4EGAAHDAC1HDAC2RAB9A
SCHEMBL1143676 0.76 KDM4E (1.00) KDM4EGAAMGAMSIMGAM2
SCHEMBL31527837 0.75 MEN1 (0.51) KDM4EGAAMGAMSIMGAM2
SCHEMBL28571808 0.75 RAB9A (0.59) KDM4EGAAMGAMSIMGAM2
SCHEMBL15554152 0.74 MGAM (0.62) KDM4EGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089380-B1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER IP GMBH (DE) 2016-06-29 EP disclosed
CN-101541785-B Substituted dihydropyrazolones and use thereof as HIF-prolyl-4 -hydroxylase inhibitors BAYER IP GMBH 2014-03-12 CN disclosed
US-8524699-B2 Substituted dihydropyrazolones and use thereof as HIF-prolyl-4-hydroxylase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-20120264704-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2012-10-18 US disclosed
CN-101541785-A Substituted dihydropyrazolones and use thereof as HIF-prolyl-4 -hydroxylase inhibitors BAYER SCHERING PHARMA AG (DE) 2009-09-23 CN disclosed
EP-2089380-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS Bayer Schering Pharma AG (DE) 2009-08-19 EP disclosed
WO-2008049538-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-02 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-20120264704-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS HIF1AN, EGLN3, EGLN2 KDM4E 123/4885GAA 712/4885MGAM 3804/4885

“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.