SCHEMBL16219598

SCHEMBL16219598

CNCNc1cc(C)nc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ AGO2 Q9UKV8 1/20 0.39
▸ NOS3 P29474 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL12230238 0.81 MAPT (0.45) GAAPOLBMAPTTLR8PDE4A
SCHEMBL4915813 0.78 NOS3 (0.60) GAAPOLBMAPTPDE4AAGO2
SCHEMBL17700671 0.76 NUDT1 (0.42) GAAPOLBMAPTTLR8PDE4A
SCHEMBL793136 0.76 MAPT (0.42) GAAPOLBMAPTTLR8PDE4A
SCHEMBL11981653 0.76 ALDH1A1 (0.56) GAAPOLBMAPTTLR8ALDH1A1
SCHEMBL17700106 0.75 ADORA2A (0.40) GAAPOLBMAPTTLR8PDE4A
SCHEMBL9116227 0.75 GAA (0.44) GAAPOLBMAPTTLR8PDE4A
SCHEMBL11464694 0.73 DNM2 (0.58) TLR8TP53
SCHEMBL13309844 0.72 TLR8 (0.61) MAPTTLR8ALDH1A1LMNATP53
SCHEMBL13309799 0.72 TLR8 (0.61) MAPTTLR8ALDH1A1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329828-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2014-11-06 — — 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 (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-20140329828-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK GAA 2439/4885POLB 4034/4885MAPT 505/4885

“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.

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