SCHEMBL9976406

SCHEMBL9976406

CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)c1nnc(-c3ccccc3)n1c(=O)n2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 5/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE2A O00408 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ADORA3 P0DMS8 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C19 P33261 1/20 0.45
ACHE P22303 4/20 0.44

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
SCHEMBL16478395 0.96 MAPT (0.50) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976397 0.96 MAPT (0.50) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976402 0.95 ALDH1A1 (0.49) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976401 0.95 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976404 0.94 GAA (0.53) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976400 0.92 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976399 0.92 MAPT (0.47) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976403 0.91 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL13013899 0.91 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL9976405 0.90 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ELMNASMN1; SMN2

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-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-8629272-B2 Tricyclic pyrimidine derivatives as wnt antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2014-01-14 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US disclosed
US-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM 2012-06-21 US disclosed
EP-2266985-A1 Tricyclic Pyrimidine Derivatives as Wnt antagonists Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP 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-20120157481-A1 TRICYCLIC PYRIMIDINE DERIVATIVES AS WNT ANTAGONISTS WNT1, WNT3, WNT3A ALDH1A1 1200/4885MAPT 2558/4885KDM4E 3910/4885

“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.