SCHEMBL272487

SCHEMBL272487

Cc1ncc(-c2ncnc(Nc3ccc(C(=O)Nc4ccccc4N)cc3)n2)n1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.55
KCNH2 Q12809 7/20 0.55
CDK1 P06493 7/20 0.52
HDAC1 Q13547 3/20 0.52
ALK Q9UM73 1/20 0.51
BRD4 O60885 2/20 0.51
JAK1 P23458 2/20 0.51
JAK2 O60674 1/20 0.47

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
SCHEMBL273165 0.88 CDK2 (0.54) CDK2KCNH2CDK1HDAC1
SCHEMBL274223 0.88 CDK2 (0.72) CDK2KCNH2CDK1HDAC1JAK2
SCHEMBL272861 0.86 CDK2 (0.57) CDK2KCNH2CDK1HDAC1ALK
SCHEMBL274273 0.84 HDAC1 (0.54) KCNH2HDAC1
SCHEMBL274376 0.83 CDK2 (0.62) CDK2KCNH2CDK1
SCHEMBL273229 0.82 HDAC1 (0.48) CDK2KCNH2CDK1HDAC1BRD4
SCHEMBL274664 0.81 HDAC1 (0.46) CDK2KCNH2HDAC1ALKBRD4
SCHEMBL273291 0.81 CDK2 (0.60) CDK2KCNH2CDK1
SCHEMBL699361 0.80 HDAC1 (0.59) CDK2HDAC1ALKBRD4JAK1
SCHEMBL273135 0.78 CDK2 (0.60) CDK2KCNH2CDK1HDAC1

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 12 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
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
US-8134000-B2 Imidazolyl pyrimidine inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-03-13 US disclosed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed
WO-2010009139-A2 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 US disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 US disclosed
US-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-14 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-20100009990-A1 IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS HDAC1, CDK9, CDK2 CDK2 3/4885KCNH2 3847/4885CDK1 18/4885

“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.