SCHEMBL10324009

SCHEMBL10324009

Nc1cc(C(=O)On2nnc3ccccc32)c(F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.51
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
MGAM O43451 5/20 0.46
AMY1A P0DUB6 5/20 0.46
GAA P10253 5/20 0.46
SI P14410 5/20 0.46
MGAM2 Q2M2H8 5/20 0.46
GLA P06280 1/20 0.40

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
SCHEMBL10323651 0.80 MGAM (0.65) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8641265 0.77 SIRT2 (0.68) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5010701 0.74 SIRT2 (0.45) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10592503 0.72 SIRT2 (0.62) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2298574 0.71 HDAC3 (0.71) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL69679 0.71 HDAC3 (0.69) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16019022 0.71 SIRT2 (0.54) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1779820 0.70 HDAC3 (0.74) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8768478 0.70 SIRT2 (0.56) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5741848 0.70 HDAC3 (0.68) SIRT2HDAC3HDAC4HDAC1HDAC7

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD SIRT2 2316/4885HDAC3 4293/4885HDAC4 3465/4885

“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.