Sugi Predict

Sugi Predict / Compounds / SCHEMBL701005

SCHEMBL701005

SCHEMBL701005

Cc1nc2ccc(C(=O)NCCN(C)C)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.61
▸ AURKA O14965 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ IKBKG Q9Y6K9 1/20 0.51
▸ JAK2 O60674 2/20 0.48
▸ HDAC3 O15379 4/20 0.47
▸ HDAC4 P56524 4/20 0.47
▸ HDAC7 Q8WUI4 4/20 0.47
▸ HDAC2 Q92769 4/20 0.47
▸ HDAC10 Q969S8 4/20 0.47
▸ HDAC11 Q96DB2 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC9 Q9UKV0 4/20 0.47
▸ HDAC5 Q9UQL6 4/20 0.47
▸ PDGFRB P09619 3/20 0.47
▸ KDR P35968 3/20 0.47
▸ ABL1 P00519 2/20 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
SCHEMBL699932 0.91 HDAC1 (0.62) HDAC1AURKAAURKBJAK2HDAC3
SCHEMBL700335 0.90 HDAC1 (0.58) HDAC1AURKAAURKBIKBKBCHUK
SCHEMBL7964300 0.87 HDAC1 (0.66) HDAC1JAK2HDAC3HDAC4HDAC7
SCHEMBL700183 0.87 IKBKB (0.53) HDAC1AURKAAURKBIKBKBCHUK
SCHEMBL703631 0.86 JAK2 (0.57) HDAC1AURKAAURKBIKBKBCHUK
SCHEMBL7964776 0.86 HDAC1 (0.65) HDAC1JAK2HDAC3HDAC4HDAC7
SCHEMBL12790486 0.85 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8CDK2
SCHEMBL700392 0.85 HDAC1 (0.61) HDAC1IKBKBCHUKIKBKGJAK2
SCHEMBL699358 0.85 HDAC1 (0.80) HDAC1JAK2HDAC3HDAC4HDAC7
SCHEMBL702259 0.85 HDAC1 (0.65) HDAC1JAK2HDAC3HDAC4HDAC7

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 9 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 claimed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 — — US claimed
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
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
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 1/4885AURKA 123/4885AURKB 74/4885

“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.