SCHEMBL12128989

SCHEMBL12128989

c1cc2ccc(Nc3ccc4cc[nH]c4n3)nc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.56
▸ AXL P30530 3/20 0.45
▸ NUDT1 P36639 1/20 0.45
▸ JAK2 O60674 2/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ SYK P43405 2/20 0.35
▸ MAPK1 P28482 3/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ AHR P35869 4/20 0.31
▸ CMA1 P23946 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ MKNK2 Q9HBH9 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL721045 0.84 APP (0.55) APPAXLNUDT1JAK2MAPK1
SCHEMBL12205185 0.82 NCF1 (0.47) APPAXLNUDT1JAK2BRD4
SCHEMBL412949 0.81 APP (0.52) APPMAPK1
SCHEMBL14147414 0.81 APP (0.52) APPAXLNUDT1JAK2BRD4
SCHEMBL12127741 0.81 APP (0.56) APPJAK2MAPK1AHRKDR
SCHEMBL12027878 0.81 APP (0.52) APPAXLNUDT1MAPK1RIPK1
SCHEMBL416002 0.81 APP (0.52) APPJAK2MAPK1AHRCMA1
SCHEMBL411102 0.81 APP (0.46) APPJAK2BRD4SYK
Hydrochloric Acid SCHEMBL4979021 0.80 NCF1 (0.45) APPAXLNUDT1JAK2BRD4
SCHEMBL12128995 0.80 APP (0.67) APPSYKAHRCMA1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — US disclosed
WO-2011128455-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE S.A. (CH) 2011-10-20 — — 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 (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-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 APP 1/4885AXL 3833/4885NUDT1 4149/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 APP 1/4885AXL 3833/4885NUDT1 4149/4885

“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.

Send feedback