SCHEMBL9976401

SCHEMBL9976401

CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)c1nnc(-c3ccc(F)cc3)n1c(=O)n2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ACHE P22303 4/20 0.43
CACNB4 O00305 3/20 0.43
CACNA1A O00555 3/20 0.43
CACNA1G O43497 3/20 0.43
CACNG3 O60359 3/20 0.43
CACNA1F O60840 3/20 0.43
CACNA1H O95180 3/20 0.43
CACNB3 P54284 3/20 0.43

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
SCHEMBL9976406 0.95 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL16478395 0.93 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976402 0.92 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976397 0.91 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976404 0.91 GAA (0.53) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976400 0.87 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976399 0.87 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL13013899 0.86 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976403 0.86 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL9976405 0.85 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2KDM4EHPGD

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 4 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

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 2558/4885SMN1; SMN2 4395/4885

“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.