SCHEMBL15428015

SCHEMBL15428015

CC12C=CC(C)(O1)c1cc(N)c(N)cc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.40
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL15428038 0.85 MEN1 (0.31) THRBMEN1KMT2A
SCHEMBL15428012 0.75 AHR (0.32)
SCHEMBL15427711 0.74 PTK2 (0.44) PTK2TDP1TP53CYP3A4THRB
SCHEMBL31499316 0.69 PDK2 (0.33)
SCHEMBL10554477 0.69 PDK2 (0.33)
SCHEMBL15427712 0.68 PTK2 (0.38) PTK2TDP1TP53CYP3A4THRB
SCHEMBL15427714 0.65 PTK2 (0.47) PTK2TDP1TP53CYP3A4THRB
SCHEMBL15427930 0.63 PTK2 (0.38) PTK2
SCHEMBL15428156 0.63 PTK2 (0.44) PTK2TDP1TP53CYP3A4THRB
SCHEMBL21440629 0.63 PTK2 (0.44) PTK2TDP1TP53CYP3A4THRB

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-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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 (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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 PTK2 3420/4885TDP1 3464/4885TP53 3702/4885

“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.