SCHEMBL2947094

SCHEMBL2947094

CCCCNc1nccc(NCCN(C)C)n1

nearest known ligand 0.90

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 10/20 0.90
HRH3 Q9Y5N1 1/20 0.58
TLR8 Q9NR97 1/20 0.56
MERTK Q12866 1/20 0.53
MAPK8 P45983 1/20 0.50
HRH4 Q9H3N8 2/20 0.48
CYP2C19 P33261 1/20 0.48
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 1/20 0.45
CCR4 P51679 1/20 0.43

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
SCHEMBL19476566 0.94 DNM2 (0.80) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL19477221 0.94 DNM2 (0.80) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL19477219 0.89 DNM2 (0.71) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL1401613 0.85 DNM2 (0.78) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL19477222 0.82 TLR8 (0.63) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL19476564 0.82 TLR8 (0.63) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL19462384 0.80 DNM2 (0.59) DNM2HRH3TLR8MERTKMAPK8
SCHEMBL2945979 0.79 DNM2 (0.62) DNM2HRH3MAPK8HRH4CYP2C19
SCHEMBL2943404 0.78 DNM2 (0.68) DNM2HRH3TLR8HRH4CYP2C19
SCHEMBL11289519 0.77 DNM2 (0.71) DNM2HRH3TLR8MERTKMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 EP 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 DNM2 4429/4885HRH3 94/4885TLR8 315/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 DNM2 4429/4885HRH3 94/4885TLR8 315/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 DNM2 4429/4885HRH3 94/4885TLR8 315/4885

“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.