SCHEMBL17888366

SCHEMBL17888366

Cc1ccc(C(=O)N2CCC(c3ccccn3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
UBE2M P61081 1/20 0.59
DCUN1D1 Q96GG9 1/20 0.59
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SLC6A7 Q99884 1/20 0.54
EPHX2 P34913 1/20 0.52
TACR3 P29371 1/20 0.52
DRD4 P21917 3/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
NAMPT P43490 1/20 0.49
TP53 P04637 1/20 0.49
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
MAPK7 Q13164 1/20 0.48

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
SCHEMBL16565554 0.89 ACHE (0.56) KMT2AMEN1SLC6A7EPHX2DRD4
SCHEMBL17886740 0.86 ABL1 (0.67) KMT2AMEN1HSD11B1MAPK7
SCHEMBL17888462 0.86 PROKR1 (0.58) KDM4EKMT2ANAMPT
SCHEMBL14781405 0.80 HSD11B1 (0.52) KDM4EDRD4DRD2DRD3ADRA1D
SCHEMBL17888407 0.79 KDM4E (0.52) KDM4EKMT2ASLC6A7TACR3
SCHEMBL4074303 0.79 HSD11B1 (0.53) DRD4DRD2DRD3ADRA1DADRA1A
SCHEMBL19226493 0.79 KDM4E (0.57) KDM4EKMT2AMEN1SLC6A7EPHX2
SCHEMBL13212080 0.77 PRMT5 (0.53) KDM4EKMT2ASLC6A7TACR3HSD11B1
SCHEMBL19659044 0.77 DRD4 (0.50) EPHX2DRD4DRD2DRD3ADRA1D
SCHEMBL19652164 0.77 KDM5A (0.54) DRD4DRD2DRD3ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 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 (3 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885UBE2M 4413/4885DCUN1D1 2793/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885UBE2M 4413/4885DCUN1D1 2793/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 KDM4E 1708/4885UBE2M 4413/4885DCUN1D1 2793/4885

“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.