SCHEMBL19016231

SCHEMBL19016231

CC(C)N1CCC(Cc2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 6/20 0.41
KCNH2 Q12809 2/20 0.41
EPHX2 P34913 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC5A7 Q9GZV3 1/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.37
HTR4 Q13639 1/20 0.37

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
SCHEMBL2490313 0.92 HRH3 (0.45) MAP4K4KDM4ESMN1; SMN2HRH3KCNH2
SCHEMBL14507938 0.91 HRH3 (0.49) MAP4K4KDM4ESMN1; SMN2HRH3KCNH2
SCHEMBL12090211 0.82 MAP4K4 (0.49) MAP4K4KDM4ESMN1; SMN2HRH3KCNH2
SCHEMBL17896397 0.82 HRH3 (0.42) MAP4K4SMN1; SMN2HRH3KCNH2CYP2D6
SCHEMBL17896406 0.79 HRH3 (0.38) KDM4ESMN1; SMN2HRH3KCNH2
SCHEMBL18135270 0.79 MAP4K4 (0.48) MAP4K4SMN1; SMN2HRH3KCNH2LMNA
SCHEMBL2603279 0.77 HRH3 (0.59) HRH3KCNH2CYP3A4CYP2D6LMNA
SCHEMBL8302404 0.77 KDM4E (0.50) MAP4K4KDM4ESMN1; SMN2HRH3KCNH2
SCHEMBL21004260 0.77 MAP4K4 (0.46) MAP4K4KDM4ESMN1; SMN2HRH3KCNH2
SCHEMBL17886915 0.77 MAP4K4 (0.46) MAP4K4KDM4ESMN1; SMN2HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 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 (2 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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR MAP4K4 662/4885KDM4E 1052/4885SMN1; SMN2 3026/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 MAP4K4 27/4885KDM4E 1708/4885SMN1; SMN2 3249/4885

“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.