SCHEMBL700335

SCHEMBL700335

Cc1nc2cc(C(=O)NCCN(C)C)ccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.58
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
IKBKG Q9Y6K9 1/20 0.52
AURKA O14965 1/20 0.50
AURKB Q96GD4 1/20 0.50
HDAC3 O15379 3/20 0.48
PDGFRB P09619 3/20 0.48
KDR P35968 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
ABL1 P00519 2/20 0.48
CDC7 O00311 1/20 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
SCHEMBL700712 0.91 HDAC1 (0.59) HDAC1AURKAAURKBHDAC3PDGFRB
SCHEMBL700392 0.91 HDAC1 (0.61) HDAC1IKBKBCHUKIKBKGHDAC3
SCHEMBL701005 0.90 HDAC1 (0.61) HDAC1IKBKBCHUKIKBKGAURKA
SCHEMBL700020 0.87 HDAC1 (0.64) HDAC1HDAC3PDGFRBKDRHDAC4
SCHEMBL702867 0.87 HDAC1 (0.58) HDAC1HDAC3PDGFRBKDRHDAC4
SCHEMBL701309 0.87 HDAC1 (0.64) HDAC1HDAC3PDGFRBKDRHDAC4
SCHEMBL701985 0.87 JAK2 (0.56) HDAC1IKBKBCHUKIKBKGAURKA
SCHEMBL698997 0.86 HDAC1 (0.62) HDAC1HDAC3PDGFRBKDRHDAC4
SCHEMBL699145 0.83 HDAC1 (0.79) HDAC1CDK2JAK2
SCHEMBL700171 0.83 HDAC1 (0.62) HDAC1HDAC3PDGFRBKDRHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
EP-2303881-A2 FUSED HETEROCYCLYC INHIBITORS OF HISTONE DEACETYLASE AND/OR CYCLIN-DEPENDENT KINASES GILEAD SCIENCES, INC. (US) 2011-04-06 EP disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 US disclosed
WO-2010009155-A2 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-01-21 WO 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-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 HDAC1 1/4885IKBKB 252/4885CHUK 76/4885

“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.