Sugi Predict

Sugi Predict / Compounds / SCHEMBL700712

SCHEMBL700712

SCHEMBL700712

COCCNC(=O)c1ccn2c(-c3ccnc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.59
▸ AURKA O14965 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ HDAC3 O15379 2/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ PDGFRB P09619 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ CDK2 P24941 3/20 0.45
▸ CDK4 P11802 2/20 0.45
▸ CCNE1 P24864 1/20 0.45

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
SCHEMBL700335 0.91 HDAC1 (0.58) HDAC1AURKAAURKBJAK2HDAC3
SCHEMBL699932 0.90 HDAC1 (0.62) HDAC1AURKAAURKBJAK2HDAC3
SCHEMBL698997 0.90 HDAC1 (0.62) HDAC1JAK2HDAC3ABL1PDGFRB
SCHEMBL699060 0.88 HDAC1 (0.61) HDAC1JAK2HDAC3ABL1PDGFRB
SCHEMBL700020 0.88 HDAC1 (0.64) HDAC1JAK2HDAC3ABL1PDGFRB
SCHEMBL703085 0.87 BRAF (0.49) HDAC1AURKAAURKBJAK2HDAC3
SCHEMBL701985 0.87 JAK2 (0.56) HDAC1AURKAAURKBJAK2KDR
SCHEMBL700171 0.87 HDAC1 (0.62) HDAC1JAK2HDAC3ABL1PDGFRB
SCHEMBL12790372 0.86 PRKD3 (0.46) HDAC1HDAC3HDAC2HDAC8CDK2
SCHEMBL657269 0.85 HDAC1 (0.51) HDAC1HDAC3CDK2CDK4CCNE1

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
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 1/4885AURKA 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.