Sugi Predict

Sugi Predict / Compounds / SCHEMBL14101138

SCHEMBL14101138

SCHEMBL14101138

O=C1Nc2ccccc2C1(O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ PDK2 Q15119 2/20 0.50
▸ PDK4 Q16654 1/20 0.50
▸ LMNA P02545 2/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ IDO1 P14902 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ POLB P06746 2/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL6216454 0.78 PDK2 (0.52) KMT2AMEN1PDK2PDK4LMNA
SCHEMBL24898554 0.77 CYP1A2 (0.51) KMT2APDK2SMN1; SMN2
SCHEMBL30740563 0.77 CYP1A2 (0.51) KMT2APDK2SMN1; SMN2
SCHEMBL24390032 0.76 PDK2 (0.48) KMT2AMEN1PDK2PDK4LMNA
SCHEMBL18025775 0.75 KMT2A (0.58) KMT2AMEN1PDK2PDK4LMNA
SCHEMBL2012314 0.75 PDK2 (0.49) KMT2AMEN1PDK2GAA
SCHEMBL2313519 0.72 PDK2 (0.64) KMT2AMEN1PDK2PDK4LMNA
SCHEMBL29988325 0.72 PDK2 (0.64) KMT2AMEN1PDK2PDK4LMNA
SCHEMBL2313521 0.72 PDK2 (0.64) KMT2AMEN1PDK2PDK4LMNA
SCHEMBL29118526 0.72 KMT2A (0.55) KMT2AMEN1PDK2PDK4LMNA

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
EP-4143182-B1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2024-12-11 — — EP disclosed
CN-118302427-A Fused ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-07-05 — — CN disclosed
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — US disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 — — WO disclosed
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 — — WO disclosed
EP-4143182-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS Rhizen Pharmaceuticals AG (CH) 2023-03-08 — — EP disclosed
CN-115485271-A Novel compounds as inhibitors of poly (ADP-ribose) polymerase (PARP) 理森制药股份公司 2022-12-16 — — CN disclosed
WO-2022090938-A1 PHTHALAZINONE DERIVATIVES USEFUL AS PARP INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2022-05-05 — — WO disclosed
WO-2021220120-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2021-11-04 — — WO disclosed
US-9029563-B2 Substituted 1-benzylindolin-2-one analogs as positive allosteric modulators of muscarinic acetylcholine M1 receptors VANDERBILT UNIVERSITY (US) 2015-05-12 — — US disclosed
US-9029563-B2 Substituted 1-benzylindolin-2-one analogs as positive allosteric modulators of muscarinic acetylcholine M1 receptors VANDERBILT UNIVERSITY (US) 2015-05-12 — — US disclosed
US-9029563-B2 Substituted 1-benzylindolin-2-one analogs as positive allosteric modulators of muscarinic acetylcholine M1 receptors VANDERBILT UNIVERSITY (US) 2015-05-12 — — US disclosed
US-20140194471-A1 SUBSTITUTED 1-BENZYLINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-10 — — US disclosed
US-20140194471-A1 SUBSTITUTED 1-BENZYLINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-10 — — US disclosed
US-20140194471-A1 SUBSTITUTED 1-BENZYLINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2014-07-10 — — US disclosed
WO-2013103931-A1 SUBSTITUTED 1-BENZYLINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-07-11 — — WO disclosed
WO-2013103931-A1 SUBSTITUTED 1-BENZYLINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE M1 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-07-11 — — WO disclosed
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 — — US disclosed
US-7414078-B2 Oral general anesthetics and metabolitically resistant anticonvulsants UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-08-19 — — 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 (2 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-20140194471-A1 SUBSTITUTED 1-BENZYLINDOLIN-2-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE M1 RECEPTORS CHRM1, CHRM2, CHRM3 KMT2A 1021/4885MEN1 1229/4885PDK2 4053/4885
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 KMT2A 1710/4885MEN1 3978/4885PDK2 216/4885

“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.