SCHEMBL5485787

SCHEMBL5485787

CCCCCNc1c[c]ccn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 5/20 0.42
TLR8 Q9NR97 2/20 0.41
HCAR3 P49019 2/20 0.41
HRH4 Q9H3N8 4/20 0.38
SOAT1 P35610 2/20 0.35
ALOX12 P18054 1/20 0.35
S1PR2 O95136 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL27699250 0.98 DNM2 (0.44) DNM2TLR8HCAR3HRH4SOAT1
SCHEMBL574419 0.95 TLR8 (0.46) DNM2TLR8HCAR3HRH4LMNA
SCHEMBL15688595 0.87 HCAR3 (0.37) TLR8HCAR3HRH4LMNASMN1; SMN2
SCHEMBL7662000 0.81 HRH3 (0.47) TLR8HRH4
SCHEMBL7653336 0.81 KDM4D (0.46)
SCHEMBL7119883 0.79 HRH3 (0.36) HRH4LMNA
SCHEMBL7121214 0.76 CYP2C19 (0.56) DNM2HRH4
SCHEMBL10684352 0.73 KDM4E (0.51) DNM2TLR8HCAR3SMN1; SMN2
SCHEMBL30449687 0.71 CYP2C19 (0.59) TLR8HCAR3SOAT1ALOX12S1PR2
SCHEMBL3797836 0.71 KDM4E (0.54) DNM2TLR8HCAR3SMN1; SMN2

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-20070191420-A1 Kinase inhibitors DEVGEN NV 2007-08-16 US disclosed
EP-1715862-A1 KINASE INHIBITORS Devgen NV (BE) 2006-11-02 EP disclosed
WO-2005082367-A1 KINASE INHIBITORS DEVGEN NV (BE) 2005-09-09 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-20070191420-A1 Kinase inhibitors ROCK1, ROCK2, MAP3K20 DNM2 636/4885TLR8 3876/4885HCAR3 2705/4885

“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.