SCHEMBL274570

SCHEMBL274570

Cc1ncc(-c2cnnc(Nc3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cc3)c2)n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.53
HDAC2 Q92769 7/20 0.53
HDAC3 O15379 6/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
KCNH2 Q12809 3/20 0.48

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
SCHEMBL272790 0.90 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL273276 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL274664 0.86 HDAC1 (0.46) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL274273 0.86 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL274092 0.85 HDAC1 (0.47) HDAC1HDAC2HDAC3KCNH2
SCHEMBL272434 0.83 CDK2 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL278786 0.83 CDK2 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2638299 0.80 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL272800 0.78 CDK2 (0.49) KCNH2
SCHEMBL274424 0.76 CDK2 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US claimed
JP-2011528039-A 2011-11-10 JP claimed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO claimed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 US claimed

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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 HDAC1 1/4885HDAC2 16/4885HDAC3 28/4885

“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.