SCHEMBL2679486

SCHEMBL2679486

CN(C)CCCNC(=O)N(C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
P2RX4 Q99571 1/20 0.49
DRD2 P14416 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
ALOX15 P16050 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 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
SCHEMBL4493528 0.84 HPGD (0.47) KDM4EP2RX4DRD2ADRA1ADRD3
SCHEMBL6245432 0.83 MEN1 (0.55) KDM4ESMN1; SMN2P2RX4ALOX15MEN1
SCHEMBL4137357 0.83 NAAA (0.58) DRD2ADRA1ADRD3HTTALDH1A1
SCHEMBL20266341 0.81 PKM (0.47) KDM4ESMN1; SMN2DRD2ADRA1ADRD3
SCHEMBL7382368 0.81 DRD2 (0.49) DRD2ADRA1ADRD3ALDH1A1
SCHEMBL19333855 0.81 DRD2 (0.46) KDM4ESMN1; SMN2DRD2ADRA1ADRD3
SCHEMBL9521252 0.80 ITGB3 (0.46) KDM4ESMN1; SMN2DRD2ADRA1ADRD3
SCHEMBL10824954 0.80 PKM (0.46) KDM4ESMN1; SMN2DRD2ADRA1ADRD3
SCHEMBL4486369 0.80 POLB (0.53) KDM4ESMN1; SMN2KMT2AHTTALDH1A1
SCHEMBL16835726 0.79 DRD2 (0.47) KDM4ESMN1; SMN2DRD2ADRA1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 US disclosed
US-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MERCK PATENT GESELLSCHAFT (DE) 2008-11-27 US 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-20080293719-A1 Pyridiazinone Derivatives for the Treatment of Tumours MET, RET, ERBB2 KDM4E 1695/4885SMN1; SMN2 3892/4885P2RX4 1014/4885

“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.