Sugi Predict

Sugi Predict / Compounds / SCHEMBL705455

SCHEMBL705455

SCHEMBL705455

Nc1ccccc1NC(=O)c1ccc(Nc2cc(-c3cnc4ccccn34)cnn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.55
▸ IKBKE Q14164 1/20 0.47
▸ TBK1 Q9UHD2 1/20 0.47
▸ HDAC2 Q92769 4/20 0.46
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC3 O15379 3/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ ABL1 P00519 2/20 0.41
▸ PDGFRB P09619 2/20 0.41
▸ KDR P35968 2/20 0.41

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
SCHEMBL702011 0.86 IKBKE (0.45) HDAC1IKBKETBK1HDAC2NPC1
SCHEMBL700172 0.84 HDAC1 (0.59) HDAC1IKBKETBK1HDAC2NPC1
SCHEMBL274664 0.81 HDAC1 (0.46) HDAC1HDAC2HDAC3NCOR2ABL1
SCHEMBL699310 0.79 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR2ABL1
SCHEMBL699361 0.79 HDAC1 (0.59) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL3678119 0.79 PKM (0.64) HDAC1HDAC2HDAC3HDAC8
SCHEMBL3684150 0.78 HDAC1 (0.54) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL701007 0.77 HDAC1 (0.57) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL700616 0.76 HDAC1 (0.56) HDAC1HDAC2NPC1RAB9ASMN1; SMN2
SCHEMBL3686398 0.76 HDAC1 (0.53) HDAC1HDAC2NPC1RAB9ASMN1; SMN2

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 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-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 1/4885IKBKE 172/4885TBK1 3059/4885

“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.