SCHEMBL254268

SCHEMBL254268

CCCCCc1nc2c(C#N)cccc2n1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.38
KCNH2 Q12809 1/20 0.36
PPARG P37231 1/20 0.36
GRM2 Q14416 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SAE1 Q9UBE0 1/20 0.34

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
Piperazine SCHEMBL28321499 0.72 TLR7 (0.44) TLR7PPARGCNR2KDM4EGLA
SCHEMBL1161593 0.68 GRM2 (0.39) KCNH2PPARGGRM2KDM4EMAPT
SCHEMBL6756141 0.65 TLR8 (0.56) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6756282 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6753996 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6753931 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6753948 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6753962 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6759152 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8
SCHEMBL6756124 0.64 TLR7 (0.55) TLR7KCNH2ALDH1A1MAPTTLR8

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-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM UNITED STATES DEPARTMENT OF ENERGY 2012-04-26 US disclosed
US-8106393-B2 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-31 US disclosed
US-20120004384-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM UNITED STATES DEPARTMENT OF ENERGY 2012-01-05 US disclosed
US-7919770-B2 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom NORTH CAROLINA STATE UNIVERSITY (US) 2011-04-05 US disclosed
US-20110015388-A1 Substituted benzazoloporphyrazines for polymerization and surface attachment and articles formed therefrom UNITED STATES DEPARTMENT OF ENERGY 2011-01-20 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-20120004384-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT TLR7 2409/4885KCNH2 762/4885PPARG 2930/4885
US-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT TLR7 2409/4885KCNH2 762/4885PPARG 2930/4885

“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.