Sugi Predict

Sugi Predict / Compounds / SCHEMBL3348546

SCHEMBL3348546

SCHEMBL3348546

COC(=O)c1cc([N+](=O)[O-])c[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ GLA P06280 2/20 0.50
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 3/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NR4A2 P43354 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FGFR3 P22607 1/20 0.39

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
SCHEMBL1160193 0.79 MEN1 (0.50) ALDH1A1GLAMEN1KMT2ALMNA
SCHEMBL28498547 0.78 ALDH1A1 (0.53) ALDH1A1GLAMEN1KMT2ALMNA
SCHEMBL26084077 0.75 DAO (0.50) GLAKMT2AKDM4EMAPTNR4A2
SCHEMBL5970532 0.75 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL1403472 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL30203403 0.73 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL3355140 0.73 DYRK1A (0.62) GLAKDM4EMAPTSLC6A3NR4A2
SCHEMBL200070 0.73 NR4A2 (0.50) ALDH1A1GLAKDM4EMAPTSLC6A3
SCHEMBL1553082 0.73 PKM (0.47) GLAKMT2AKDM4EMAPTNR4A2
SCHEMBL11325306 0.73 ALDH1A1 (0.56) ALDH1A1GLAMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 — — US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 — — US disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 — — US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 — — EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 — — US disclosed
EP-1761268-A4 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-07-08 — — EP disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 — — EP disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 — — WO disclosed
EP-1768983-A2 FUSED HETEROCYCLIC KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-04-04 — — EP disclosed
EP-1761268-A2 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-03-14 — — EP disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
WO-2006004636-A2 FUSED HETEROCYCLIC KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 — — WO disclosed
WO-2006004833-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-01-12 — — WO disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — 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 (5 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ALDH1A1 3087/4885GLA 4138/4885MEN1 1216/4885
US-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 ALDH1A1 2166/4885GLA 3268/4885MEN1 1512/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 ALDH1A1 3818/4885GLA 4545/4885MEN1 2112/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 ALDH1A1 1905/4885GLA 3752/4885MEN1 1555/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ALDH1A1 3087/4885GLA 4138/4885MEN1 1216/4885

“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.