SCHEMBL251068

SCHEMBL251068

N#Cc1nc2cccc(C#N)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.41
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MAP2K1 Q02750 1/20 0.34
DRD4 P21917 1/20 0.33
PTGES O14684 1/20 0.33
JAK2 O60674 1/20 0.33
TBXAS1 P24557 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
MCL1 Q07820 1/20 0.32

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
SCHEMBL21263268 0.80 PARP1 (0.41) ALDH1A1KDM4EGAAHTTDYRK1A
SCHEMBL27615365 0.80 PSMB8 (0.40) PSMB8ALDH1A1GAAHTT
SCHEMBL31568947 0.77 MEN1 (0.37) PSMB8ALDH1A1KDM4EGAAHTT
SCHEMBL22962264 0.76 KDM4E (0.41) ALDH1A1KDM4EGAAHTTDYRK1A
SCHEMBL20305552 0.75 PIN1 (0.49) ALDH1A1KDM4EHTTLMNATHRB
SCHEMBL17048157 0.75 NPC1 (0.59) ALDH1A1KDM4EGAAHTTDRD4
SCHEMBL29893903 0.75 KEAP1 (0.42) PSMB8ALDH1A1KDM4E
SCHEMBL29810281 0.74 PSMB8 (0.39) PSMB8ALDH1A1
SCHEMBL505052 0.74 NPC1 (0.47) ALDH1A1KDM4EGAAHTTLMNA
SCHEMBL29935523 0.73 PSMB8 (0.43) PSMB8DYRK1A

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 PSMB8 4575/4885ALDH1A1 767/4885KDM4E 1521/4885
US-20120101243-A1 SUBSTITUTED BENZAZOLOPORPHYRAZINES FOR POLYMERIZATION AND SURFACE ATTACHMENT AND ARTICLES FORMED THEREFROM PNMT, HNMT, COMT PSMB8 4575/4885ALDH1A1 767/4885KDM4E 1521/4885

“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.