SCHEMBL10140130

SCHEMBL10140130

CCN(CC)C(=O)Oc1c(-c2ccc(CN3CCOCC3)cc2)nn(C)c1-c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PARP1 P09874 2/20 0.40
CHEK2 O96017 4/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
SLC2A1 P11166 1/20 0.37
CHEK1 O14757 4/20 0.37
CDK7 P50613 2/20 0.37
CHUK O15111 2/20 0.36
MAPK8 P45983 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
AURKA O14965 1/20 0.36
CCNB1 P14635 1/20 0.36
AURKB Q96GD4 1/20 0.36

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
SCHEMBL16258968 0.89 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10140128 0.85 F10 (0.34) HDAC1HDAC6CHEK2
SCHEMBL7975823 0.85 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7972893 0.83 F10 (0.37) CHEK2
SCHEMBL10140125 0.83 MEN1 (0.39) CHEK2
SCHEMBL7975959 0.78 CHEK1 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10139999 0.78 HDAC6 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10140129 0.77 HDAC1 (0.34) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12758129 0.76 MEN1 (0.36) CHEK2
SCHEMBL7960714 0.74 CHEK2 (0.39) CHEK2

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 HDAC3 60/4885HDAC1 238/4885HDAC2 544/4885

“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.