Sugi Predict

Sugi Predict / Compounds / SCHEMBL1379680

SCHEMBL1379680

SCHEMBL1379680

NC(=O)c1cnccc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CDK8 P49336 3/20 0.47
▸ CCNC P24863 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ CDC7 O00311 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ SARM1 Q6SZW1 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.44
▸ SIRT4 Q9Y6E7 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KDM6B O15054 1/20 0.42
▸ KDM4A O75164 1/20 0.42

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
SCHEMBL31688820 1.00 SIRT3 (0.60) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL30694749 0.83 TDP1 (0.55) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL5700120 0.83 TDP1 (0.55) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL30694754 0.83 TDP1 (0.55) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL22568865 0.83 TDP1 (0.44) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL933359 0.81 KDM4C (0.53) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL1687197 0.80 TDP1 (0.67) SIRT3TDP1CDK8KDM4ECDC7
SCHEMBL1330970 0.80 TDP1 (0.67) SIRT3TDP1CDK8KDM4ECDC7
SCHEMBL5700043 0.79 TDP1 (0.46) SIRT3TDP1CDK8CCNCKDM4E
SCHEMBL7431923 0.79 TDP1 (0.41) SIRT3TDP1CDK8CCNCKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4828407-B2 — — 2011-11-30 — — JP claimed
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 — — EP claimed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 — — WO claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 — — US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
EP-3725775-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2020-10-21 — — EP disclosed
EP-2942346-B1 PYRIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC (US) 2020-05-06 — — EP disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 — — US disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
EP-2942346-A1 PYRIDINE- AND PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS Syntrix Biosystems, Inc. (US) 2015-11-11 — — EP disclosed
US-8981106-B2 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2015-03-17 — — US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 — — US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 — — US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 — — US disclosed
US-20040235084-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions ENERGY, UNITED STATES DEPARTMENT OF 2004-11-25 — — US disclosed
US-6403587-B1 AUTOIMMUNE DISEASES, ACUTE AND CHRONIC INFLAMMATORY CONDITIONS, ALLERGIC CONDITIONS, INFECTION ASSOCIATED WITH INFLAMMATION, VIRAL, TRANSPLANTATION TISSUE REJECTION, ATHEROSCLEROSIS, RESTENOSIS, HIV INFECTIVITY, AND PFIZER INC. 2002-06-11 — — 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 (8 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-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 SIRT3 3589/4885TDP1 2552/4885CDK8 136/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 SIRT3 2929/4885TDP1 2769/4885CDK8 172/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 SIRT3 1871/4885TDP1 1130/4885CDK8 2370/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SIRT3 3117/4885TDP1 1720/4885CDK8 3002/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 SIRT3 3184/4885TDP1 1714/4885CDK8 3001/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 SIRT3 3463/4885TDP1 2058/4885CDK8 3070/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 SIRT3 3116/4885TDP1 1739/4885CDK8 3024/4885
US-20040235084-A1 Novel agents for replacement of NAD+/NADH system in enzymatic reactions NQO1, NADK, ME2 SIRT3 34/4885TDP1 1720/4885CDK8 2888/4885

“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.