SCHEMBL4164153

SCHEMBL4164153

NC(=O)c1cccc(-c2cncc(Nc3cccc(O)c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.49
XDH P47989 3/20 0.48
SLC22A12 Q96S37 3/20 0.48
BRAF P15056 2/20 0.48
SYK P43405 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
SIRT3 Q9NTG7 2/20 0.47
CCNT1 O60563 1/20 0.46
CCND1 P24385 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CDK7 P50613 1/20 0.46
CDK9 P50750 1/20 0.46
CCNH P51946 1/20 0.46
MNAT1 P51948 1/20 0.46
CDK6 Q00534 1/20 0.46
FYN P06241 6/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL4187491 0.88 XDH (0.57) XDHSLC22A12BRAFSYKSIRT2
SCHEMBL4191929 0.86 XDH (0.61) PARP1XDHSLC22A12BRAFSYK
SCHEMBL4154769 0.86 PARP1 (0.50) PARP1XDHSLC22A12BRAFSYK
SCHEMBL21311940 0.85 FYN (0.53) XDHSLC22A12BRAFSYKFYN
SCHEMBL4182331 0.83 SIRT2 (0.71) XDHSLC22A12SYKSIRT2SIRT1
SCHEMBL4199231 0.82 XDH (0.57) PARP1XDHSLC22A12SYKSIRT2
SCHEMBL4194432 0.82 TSHR (0.54) SYKABL1EGFRGSK3AGSK3B
SCHEMBL4143243 0.81 FYN (0.57) PARP1SYKCCNT1CCND1CCNC
SCHEMBL4191642 0.80 XDH (0.61) XDHSLC22A12SYKSIRT2SIRT1
SCHEMBL4199153 0.80 ABL1 (0.48) PARP1XDHSLC22A12SYKSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT PARP1 1375/4885XDH 750/4885SLC22A12 4511/4885

“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.