SCHEMBL5621058

SCHEMBL5621058

COc1cc(Nc2nc(-c3ccc(NCCC(N)=O)cc3)nn3c(C)nc(C)c23)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 3/20 0.39
PLK1 P53350 3/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
TP53 P04637 1/20 0.38
SYK P43405 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PRMT7 Q9NVM4 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5619992 0.87 RAF1 (0.52) MAPTLMNAPLK1RAF1BRAF
SCHEMBL5621060 0.85 MAPT (0.45) MAPTHDAC3HDAC1HDAC7HDAC8
SCHEMBL5619495 0.84 MAPT (0.42) MAPTHDAC3HDAC1HDAC7HDAC8
SCHEMBL5620937 0.84 MAPT (0.43) MAPTHDAC3HDAC1HDAC7HDAC8
SCHEMBL5619813 0.84 BRAF (0.50) MAPTLMNAPLK1BRAFRXFP1
SCHEMBL5619503 0.84 PLK1 (0.46) MAPTPLK1BRAFPRMT7
SCHEMBL5620338 0.83 MAPT (0.43) MAPTHDAC3HDAC1HDAC7HDAC8
SCHEMBL6287805 0.82 PLK1 (0.45) MAPTPLK1TP53SMN1; SMN2
SCHEMBL6291417 0.82 PLK1 (0.45) MAPTPLK1TP53PRMT7
SCHEMBL6291820 0.82 TP53 (0.45) LMNAPLK1TP53SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202243-B2 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2007-04-10 US disclosed
US-20060166993-A1 Substituted imidazotriazines BAYER HEALTHCARE AG (DE) 2006-07-27 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-20060166993-A1 Substituted imidazotriazines SNCA, PARK7, TPMT MAPT 164/4885HDAC3 1565/4885HDAC1 2020/4885

“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.