Sugi Predict

Sugi Predict / Compounds / SCHEMBL3168308

SCHEMBL3168308

SCHEMBL3168308

NC(=O)c1ccnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ RIPK2 O43353 1/20 0.51
▸ GLS O94925 1/20 0.46
▸ NR3C2 P08235 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ SRC P12931 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ HCRTR1 O43613 1/20 0.43
▸ HCRTR2 O43614 1/20 0.43
▸ ROCK1 Q13464 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CYP2C9 P11712 4/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CYP2C18 P33260 2/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 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
SCHEMBL4953424 0.90 POLB (0.43) POLBRIPK2GLSNR3C2SRC
SCHEMBL5347073 0.86 SCN9A (0.44) POLBRIPK2NR3C2CYP2C9CYP2C18
SCHEMBL5963048 0.86 SCN9A (0.54) POLBRIPK2KMT2ABRAFKDR
SCHEMBL27134892 0.85 CCNC (0.42) POLBRIPK2GLSNR3C2SRC
SCHEMBL856957 0.85 POLB (0.52) POLBRIPK2GLSHCRTR1HCRTR2
SCHEMBL10926946 0.84 XDH (0.46) POLBKMT2AKDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL11893514 0.83 POLB (0.50) POLBGLSHCRTR1HCRTR2ROCK1
SCHEMBL30235475 0.83 F7 (0.47) RIPK2ALDH1A1HPGDCYP3A4
SCHEMBL28109899 0.83 PARP1 (0.46) POLBNR3C2HSD17B10CYP3A4TSHR
SCHEMBL4951225 0.82 HSD17B10 (0.41) POLBRIPK2GLSNR3C2KMT2A

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754587-B Phenylpyrazole compound and application thereof 沈阳药科大学 2023-07-14 — — CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO claimed
US-11963994-B2 Inhibitors of IAP GENENTECH, INC. (US) 2024-04-23 — — US disclosed
CN-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 — — CN disclosed
WO-2023192665-A2 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PRECISION MEDICINES, INC. (US) 2023-10-05 — — WO disclosed
WO-2023165168-A1 APPLICATION OF PYRAZOLE DERIVATIVE AS β2 ADRENERGIC RECEPTOR ALLOSTERIC MODULATOR, ANTAGONIST AND AGONIST 常州大学 2023-09-07 — — WO disclosed
CN-114057646-B Pyrazole derivative and application thereof in preparation of antitumor drugs 常州大学 2023-05-02 — — CN disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 — — US disclosed
US-20220211797-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2022-07-07 — — US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 — — EP disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-28 — — US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 — — EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 — — WO disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 — — WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 — — 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 (6 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-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 POLB 4407/4885RIPK2 134/4885GLS 2325/4885
US-20220211797-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 POLB 4214/4885RIPK2 92/4885GLS 1699/4885
US-20070149562-A1 OXOPIPERIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF MC5R, MC4R, OPRD1 POLB 2771/4885RIPK2 3082/4885GLS 1941/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP POLB 4146/4885RIPK2 29/4885GLS 1505/4885
US-11963994-B2 Inhibitors of IAP BIRC5, XIAP, BIRC3 POLB 4214/4885RIPK2 92/4885GLS 1699/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 POLB 4195/4885RIPK2 2150/4885GLS 963/4885

“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.