SCHEMBL273229

SCHEMBL273229

Cc1ncc(-c2ccnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)c2)n1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.48
CDK2 P24941 7/20 0.48
KCNH2 Q12809 6/20 0.47
HDAC3 O15379 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC2 Q92769 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC6 Q9UBN7 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
ABL1 P00519 2/20 0.46
PDGFRB P09619 2/20 0.46
KDR P35968 2/20 0.46
CDK1 P06493 2/20 0.46
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
JAK2 O60674 1/20 0.44

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
SCHEMBL273354 0.89 HDAC1 (0.48) HDAC1CDK2KCNH2HDAC3HDAC2
SCHEMBL274664 0.89 HDAC1 (0.46) HDAC1CDK2KCNH2HDAC3HDAC4
SCHEMBL272790 0.86 HDAC1 (0.54) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL272879 0.84 CDK2 (0.55) CDK2KCNH2CDK1CCNT1CDK9
SCHEMBL274223 0.82 CDK2 (0.72) HDAC1CDK2KCNH2CDK1CCNT1
SCHEMBL272487 0.82 CDK2 (0.55) HDAC1CDK2KCNH2CDK1JAK2
SCHEMBL272861 0.79 CDK2 (0.57) HDAC1CDK2KCNH2CDK1CCNT1
SCHEMBL274092 0.78 HDAC1 (0.47) HDAC1CDK2KCNH2HDAC3HDAC2
SCHEMBL2638221 0.77 HDAC1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL274570 0.76 HDAC1 (0.53) HDAC1KCNH2HDAC3HDAC4HDAC7

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 1/4885CDK2 3/4885KCNH2 3847/4885

“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.