SCHEMBL16769809

SCHEMBL16769809

CCCCNc1nc(NCCN)nc(NCCN)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
SLC29A1 Q99808 1/20 0.49
KCNH3 Q9ULD8 2/20 0.47
KMT2A Q03164 1/20 0.47
TLR8 Q9NR97 8/20 0.45
TLR7 Q9NYK1 3/20 0.42
DNM2 P50570 1/20 0.40
GBA1 P04062 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL9913709 1.00 CA1 (0.49) CA1CA2CA9SLC29A1KCNH3
SCHEMBL14725030 0.92 TLR8 (0.51) CA1CA2CA9SLC29A1KMT2A
SCHEMBL12373453 0.89 TLR8 (0.51) CA1CA2CA9SLC29A1KCNH3
SCHEMBL2784426 0.89 SLC29A1 (0.57) CA1CA2CA9SLC29A1KCNH3
SCHEMBL20375134 0.86 CYP1A2 (0.52) CA1CA2CA9KCNH3KMT2A
SCHEMBL428279 0.86 CYP1A2 (0.52) CA1CA2CA9KCNH3KMT2A
SCHEMBL21587503 0.86 SLC29A1 (0.55) CA1CA2CA9SLC29A1KCNH3
SCHEMBL15402297 0.85 KMT2A (0.51) CA1CA2CA9SLC29A1KCNH3
SCHEMBL21527302 0.84 CA12 (0.49) CA1CA2CA9KCNH3KMT2A
SCHEMBL17564594 0.84 KMT2A (0.71) CA1CA2CA9KCNH3KMT2A

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-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND Mori, Kunio (JP) 2017-11-23 US disclosed
US-9790242-B2 Surface treatment method, surface treatment agent, and novel compound Mori, Kunio (JP) 2017-10-17 US disclosed
US-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND Mori, Kunio (JP) 2015-06-04 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-20150152124-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT AGENT, AND NOVEL COMPOUND EPCAM, ITGAM, MET CA1 486/4885CA2 1279/4885CA9 2898/4885
US-20170334933-A1 SURFACE TREATMENT AGENT AND NOVEL COMPOUND EPCAM, MET, ITGAM CA1 159/4885CA2 860/4885CA9 1680/4885

“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.